1-octadecoxyicosan-2-ol

C38H78O2 — CID 88758338

IUPAC1-octadecoxyicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOCC(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39)37-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37H2,1-2H3
InChIKeyXDOSLLJRFGQLBM-UHFFFAOYSA-N
MW567.04 g/mol
LogP13.28
Rot. Bonds36

About 1-octadecoxyicosan-2-ol

1-octadecoxyicosan-2-ol (PubChem CID 88758338) has the molecular formula C38H78O2 and a molecular weight of 567.04 g/mol. Its IUPAC name is 1-octadecoxyicosan-2-ol.

Molecular Properties

Compound Name1-octadecoxyicosan-2-ol
PubChem CID88758338
Molecular FormulaC38H78O2
Molecular Weight567.04 g/mol
Exact Mass566.60
IUPAC Name1-octadecoxyicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOCC(O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39)37-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37H2,1-2H3
InChIKeyXDOSLLJRFGQLBM-UHFFFAOYSA-N
XLogP13.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.04
LogP ≤ 513.28
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-octoxydecan-2-ol
CID 57119039
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
(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
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-octadecoxyicosan-2-ol?
The IUPAC name of 1-octadecoxyicosan-2-ol (CID 88758338) is 1-octadecoxyicosan-2-ol.
What is the SMILES notation for 1-octadecoxyicosan-2-ol?
The canonical SMILES for 1-octadecoxyicosan-2-ol is CCCCCCCCCCCCCCCCCCOCC(O)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-octadecoxyicosan-2-ol?
The InChIKey is XDOSLLJRFGQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39)37-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37H2,1-2H3.
What are the key properties of 1-octadecoxyicosan-2-ol?
1-octadecoxyicosan-2-ol has a molecular weight of 567.04 g/mol, XLogP of 13.28, 36 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecoxyicosan-2-ol is sourced from PubChem (CID 88758338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).