Iridodiol

HCID 101710

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Basic information

CAS: 485-42-7
Standard SMILES: CC1CCC(C(C)CO)C1CO
InChIKey: MZPIHWYCJUPOFB-UHFFFAOYSA-N
Molecular formula: C10H20O2
Average molar mass: 172.26 g/mol
Monoisotopic mass: 172.14632988

Overview

See also: Iridodiol (annotation moved to).

Names & identifiers

Preferred name: Iridodiol
IUPAC: 2-[2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol
English name: iridodiol
Molecular formula: C10H20O2
Molecular weight: 172.26

Names & synonyms

Iridodiol485-42-7alpha-Iridodiol2-[2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-olSCHEMBL11291498DTXSID20964074MZPIHWYCJUPOFB-UHFFFAOYSA-N2-[2-(Hydroxymethyl)-3-methylcyclopentyl]-1-propanol #Cyclopentaneethanol, 2-(hydroxymethyl)-beta,3-dimethyl-Cyclopentaneethanol, 2-(hydroxymethyl)-.beta.,3-dimethyl-2-(Hydroxymethyl)-β,3-dimethylcyclopentaneethanolCyclopentaneethanol, 2-(hydroxymethyl)-β,3-dimethyl- (6CI,7CI,8CI,9CI)

Database identifiers

CAS: 485-42-7
PubChem CID: 101710
DTXSID: DTXSID20964074
Nikkaji: J102.400K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 136

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