1,3-Dioxolane-2-butanol, 2-methyl-
Basic information
- CAS
5745-75-5- Standard SMILES
CC1(CCCCO)OCCO1- InChIKey
LGRQYAIQTHIDNW-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 1,3-Dioxolane-2-butanol, 2-methyl-
- IUPAC
- 4-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
- English name
- 2-Methyl-1,3-dioxolane-2-(1-butanol)
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
1,3-Dioxolane-2-butanol, 2-methyl-5745-75-54-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol2-Methyl-1,3-dioxolane-2-(1-butanol)SCHEMBL12029062LGRQYAIQTHIDNW-UHFFFAOYSA-NDTXSID4013761636-Hydroxy-2-hexanone ethyleneketal6-hydroxy-2-hexanone ethylene ketal1,3-DIOXOLANE-2-BUTANOL, 2-METHYL4-(2-Methyl-1,3-dioxolan-2-yl)-1-butanol #2-Hexanone, 6-hydroxy-, cyclic 1,2-ethanediyl acetal
Database identifiers
- CAS
5745-75-5- PubChem CID
- 538372
- DTXSID
DTXSID401376163- Nikkaji
- J129.299D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
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Compound notes
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