11-octylicosan-1-ol

C28H58O — CID 162349984

IUPAC11-octylicosan-1-ol
SMILESCCCCCCCCCC(CCCCCCCC)CCCCCCCCCCO
InChIInChI=1S/C28H58O/c1-3-5-7-9-13-17-21-25-28(24-20-16-10-8-6-4-2)26-22-18-14-11-12-15-19-23-27-29/h28-29H,3-27H2,1-2H3
InChIKeyCCIUXYLOOQQIJY-UHFFFAOYSA-N
MW410.77 g/mol
LogP10.00
Rot. Bonds25

About 11-octylicosan-1-ol

11-octylicosan-1-ol (PubChem CID 162349984) has the molecular formula C28H58O and a molecular weight of 410.77 g/mol. Its IUPAC name is 11-octylicosan-1-ol.

Molecular Properties

Compound Name11-octylicosan-1-ol
PubChem CID162349984
Molecular FormulaC28H58O
Molecular Weight410.77 g/mol
Exact Mass410.45
IUPAC Name11-octylicosan-1-ol
SMILESCCCCCCCCCC(CCCCCCCC)CCCCCCCCCCO
InChIInChI=1S/C28H58O/c1-3-5-7-9-13-17-21-25-28(24-20-16-10-8-6-4-2)26-22-18-14-11-12-15-19-23-27-29/h28-29H,3-27H2,1-2H3
InChIKeyCCIUXYLOOQQIJY-UHFFFAOYSA-N
XLogP10.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.77
LogP ≤ 510.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-decylheptadecan-1-ol
CID 171774120
3-octyldodecane-1,12-diol
CID 141481121
4-hexyldodecan-1-ol
CID 23212981
4-heptadecylheptane-1,7-diol
CID 54374368
2-decylhexane-1,6-diol
CID 141462709
3-pentylundecan-1-ol
CID 118576679
3-octyltridecan-1-ol
CID 13109029
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of 11-octylicosan-1-ol?
The IUPAC name of 11-octylicosan-1-ol (CID 162349984) is 11-octylicosan-1-ol.
What is the SMILES notation for 11-octylicosan-1-ol?
The canonical SMILES for 11-octylicosan-1-ol is CCCCCCCCCC(CCCCCCCC)CCCCCCCCCCO.
What is the InChIKey of 11-octylicosan-1-ol?
The InChIKey is CCIUXYLOOQQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O/c1-3-5-7-9-13-17-21-25-28(24-20-16-10-8-6-4-2)26-22-18-14-11-12-15-19-23-27-29/h28-29H,3-27H2,1-2H3.
What are the key properties of 11-octylicosan-1-ol?
11-octylicosan-1-ol has a molecular weight of 410.77 g/mol, XLogP of 10.00, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-octylicosan-1-ol is sourced from PubChem (CID 162349984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).