Basic information
- CAS
63917-46-4- Standard SMILES
CC1CCCC12OCC(CO)O2- InChIKey
SKUIGVFPSLMMNN-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro(4.4)nonane-2-methanol, 6-methyl-
- IUPAC
- (9-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)methanol
- English name
- 6-Methyl-1,4-dioxaspiro[4.4]nonane-2-methanol
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
BRN 010794763917-46-46-Methyl-1,4-dioxaspiro(4.4)nonane-2-methanol1,4-DIOXASPIRO(4.4)NONANE-2-METHANOL, 6-METHYL-6-Methyl-1,4-dioxaspiro[4.4]nonane-2-methanol4-19-00-00697 (Beilstein Handbook Reference)RefChem:220749(6-methyl-1,4-dioxaspiro[4.4]nonan-2-yl)methanolSCHEMBL8193012DTXSID40981061DB-3071311,4-Dioxaspiro[4.4]nonane-2-methanol, 6-methyl-
Database identifiers
- CAS
63917-46-4- PubChem CID
- 45283
- DTXSID
DTXSID40981061- Nikkaji
- J83.695H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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