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(1R,2S,5S)-7,7-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)

HCID 92076
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
32162-29-1
Standard SMILES
CC1(C)[C@H]2CC[C@@]3(CO3)[C@@H]1C2
InChIKey
OUXAABAEPHHZPC-QXFUBDJGSA-N
Molecular formula
C10H16O
Average molar mass
152.23 g/mol
Monoisotopic mass
152.12011513

Names & identifiers

Preferred name
(1R,2S,5S)-7,7-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)
IUPAC
(1R,2S,5S)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
English name
[1R-(1alpha,2alpha,5alpha)]-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
Molecular formula
C10H16O
Molecular weight
152.23

Names & synonyms

F85V8QAQ7S(1r,2s,5s)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane](+)-2alpha,10-Epoxypinane(1R-(1alpha,2alpha,5alpha))-6,6-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)(+)-2(10)-PINENE OXIDE(+)-2.ALPHA.,10-EPOXYPINANE(1R,2S,5S)-7,7-Dimethylspiro(bicyclo(3.1.1)heptane-2,2'-oxirane)(1R,2S,5S)-6,6-DIMETHYLSPIRO(BICYCLO(3.1.1)HEPTANE-2,2'-OXIRANE)[1R-(1alpha,2alpha,5alpha)]-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]SPIRO(BICYCLO(3.1.1)HEPTANE-2,2'-OXIRANE), 6,6-DIMETHYL-, (1R,2S,5S)-RefChem:196405260-076-8
Show more names
(+)-2α,10-Epoxypinane(1R,2R,5S)-6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]Spiro[bicyclo[3.1.1]heptane-2,2'-oxirane], 6,6-dimethyl-, (1R,2S,5S)-
56246-58-3(+)-2?,10-EpoxypinaneEINECS 260-076-8UNII-F85V8QAQ7SOUXAABAEPHHZPC-QXFUBDJGSA-NDTXSID901172401NS00124203(1R,2S,5S)-6,6-Dimethylspiro[bicyclo[3.1.1]heptane-2,2a(2)-oxirane]

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
209

Physicochemical properties

FDA UNII
85 V8QAQ7S · F85V8QAQ7S

Chemistry & industry

Applications

Uses(+)-2α,10-Epoxypinane is an intermediate in the synthesis of (2S)-(-)-cis-2-Pinanol (P458625), which is a monoterpene and a component of several plant essential oils.

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
32162-29-1、56246-58-3
PubChem CID
92076
DTXSID
DTXSID901172401
UNII
F85V8QAQ7S
EC Number
260-076-8
Nikkaji
J269.366F