3,3,7-Trimethyl-4-oxa-7-octen-1-ol
Basic information
- CAS
69161-47-3- Standard SMILES
C=C(C)CCOC(C)(C)CCO- InChIKey
OYSGDRSBCITWNM-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 3,3,7-Trimethyl-4-oxa-7-octen-1-ol
- IUPAC
- 3-methyl-3-(3-methylbut-3-enoxy)butan-1-ol
- English name
- 3,3,7-Trimethyl-4-oxa-7-octen-1-ol
- Molecular weight
- 0
Names & synonyms
3,3,7-Trimethyl-4-oxa-7-octen-1-ol69161-47-33-methyl-3-(3-methylbut-3-enoxy)butan-1-olSCHEMBL11139731OYSGDRSBCITWNM-UHFFFAOYSA-NDTXSID3013459573-Methyl-3-[(3-methyl-3-butenyl)oxy]-1-butanol #Q633985193-(3-Methyl-3-butenyloxy)-3-methyl-1-butanol
Database identifiers
- CAS
69161-47-3- PubChem CID
- 549472
- DTXSID
DTXSID301345957- Nikkaji
- J25.001E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
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Compound notes
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