1-Adamantyl acetate

HCID 519973
NotesReactions
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Basic information

CAS
22635-62-7
Standard SMILES
CC(=O)OC12CC3CC(CC(C3)C1)C2
InChIKey
ZYLRDAOEBRPIGT-UHFFFAOYSA-N
Molecular formula
C12H18O2
Average molar mass
194.27 g/mol
Monoisotopic mass
194.13067981

Names & identifiers

Preferred name
1-Adamantyl acetate
IUPAC
1-adamantyl acetate
English name
Tricyclo[3.3.1.13,7]decan-1-ol, 1-acetate
Molecular formula
C12H18O2
Molecular weight
194.27

Names & synonyms

1-adamantyl acetate22635-62-7DTXSID501315774RefChem:1054806DTXCID301745660Adamantan-1-yl acetateTricyclo[3.3.1.13,7]decan-1-ol, 1-acetate1-Adamantanol, acetate1-acetoxyadamantane1-acetyloxyadamantaneacetoxyadamantaneacetyloxyadamantane
Show more names
acetic acid1-goldalkanester
SCHEMBL27240CHEMBL368454SCHEMBL4181145MFCD01837246AS-92226Tricyclo[3.3.1.13,7]decan-1-ol, acetateTricyclo[3.3.1.137]decan-1-ol 1-acetateE80263

Database identifiers

CAS
22635-62-7
PubChem CID
519973
DTXSID
DTXSID501315774
ChEMBL
CHEMBL368454
Nikkaji
J260.377B

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Kovats Retention Index1458

Physicochemical properties

Melting point
33 · 33-34 °C
Boiling point
110 · 110-111 °C(Press: 12 Torr)
Density
1.1 · 1.10±0.1 g/cm3(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers15 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

19 records
New reaction record

Compound notes

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