(2-Ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol

HCID 21980

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Basic information

CAS: 5754-25-6
Standard SMILES: CCCCCC1(CC)OCC(CO)O1
InChIKey: SIGRDOVOVHZTGC-UHFFFAOYSA-N
Molecular formula: C11H22O3
Average molar mass: 202.29 g/mol
Monoisotopic mass: 202.15689456

Names & identifiers

Preferred name: (2-Ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
IUPAC: (2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
English name: 2-Ethyl-2-pentyl-1,3-dioxolane-4-methanol
Molecular formula: C11H22O3
Molecular weight: 202.29

Names & synonyms

(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol5754-25-6DTXSID30973076RefChem:1049684DTXCID0014005342-Ethyl-2-pentyl-1,3-dioxolane-4-methanolBRN 01090211,3-DIOXOLANE-4-METHANOL, 2-ETHYL-2-PENTYL-SCHEMBL21525853

Database identifiers

CAS: 5754-25-6
PubChem CID: 21980
DTXSID: DTXSID30973076
Nikkaji: J42.144H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 161

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