1-octoxydecan-2-ol

C18H38O2 — CID 57119039

IUPAC1-octoxydecan-2-ol
SMILESCCCCCCCCOCC(O)CCCCCCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-18(19)17-20-16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyPSKROUAVMVMTRA-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.47
Rot. Bonds16

About 1-octoxydecan-2-ol

1-octoxydecan-2-ol (PubChem CID 57119039) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-octoxydecan-2-ol.

Molecular Properties

Compound Name1-octoxydecan-2-ol
PubChem CID57119039
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-octoxydecan-2-ol
SMILESCCCCCCCCOCC(O)CCCCCCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-18(19)17-20-16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyPSKROUAVMVMTRA-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octadecoxyicosan-2-ol
CID 88758338
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
1,4-dioctoxybutan-2-ol
CID 91047029
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
5-(2-hydroxyheptadecoxy)pentanoic acid
CID 139709374
1-hydroxy-8-[(2S)-2-hydroxyheptoxy]octan-2-one
CID 167292580
(2R)-1-octadeca-9,12-dienoxyundecan-2-ol
CID 123987134
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706

Frequently Asked Questions

What is the IUPAC name of 1-octoxydecan-2-ol?
The IUPAC name of 1-octoxydecan-2-ol (CID 57119039) is 1-octoxydecan-2-ol.
What is the SMILES notation for 1-octoxydecan-2-ol?
The canonical SMILES for 1-octoxydecan-2-ol is CCCCCCCCOCC(O)CCCCCCCC.
What is the InChIKey of 1-octoxydecan-2-ol?
The InChIKey is PSKROUAVMVMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-18(19)17-20-16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-octoxydecan-2-ol?
1-octoxydecan-2-ol has a molecular weight of 286.50 g/mol, XLogP of 5.47, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxydecan-2-ol is sourced from PubChem (CID 57119039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).