2-Octylpropane-1,3-diol

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Basic information

CAS: 74971-70-3
Standard SMILES: CCCCCCCCC(CO)CO
InChIKey: ZZJCWGKTESNSGK-UHFFFAOYSA-N
Molecular formula: C11H24O2
Average molar mass: 188.31 g/mol
Monoisotopic mass: 188.17763

Names & identifiers

Preferred name: 2-Octylpropane-1,3-diol
IUPAC: 2-octylpropane-1,3-diol

Names & synonyms

2-octylpropane-1,3-diol74971-70-3DTXSID30311454RefChem:264521DTXCID002625802-octyl-1,3-propanediol2-n-octylpropane-1,3-diolNSC2435132-n-Octylpropan-1,3-diolSCHEMBL182954ZZJCWGKTESNSGK-UHFFFAOYSA-NAKOS018005071

Show more names

NSC-243513DA-20148ST51045472

Database identifiers

CAS: 74971-70-3
PubChem CID: 316062
DTXSID: DTXSID30311454
Nikkaji: J1.311.007G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 90.1

Related reactions

10 records

New reaction record

HRID 1197381As productuspto-grants-1994_01

HRID 1197382As reactantuspto-grants-1994_01

HRID 1780570As reactantuspto-grants-1997_05

HRID 1780572As reactantuspto-grants-1997_05

HRID 2050135As productuspto-grants-1980_04

HRID 2050136As reactantuspto-grants-1980_04

HRID 2292400As productuspto-grants-1997_11

HRID 2292405As reactantuspto-grants-1997_11

Compound notes

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