9-octyloctadecan-9-ol

C26H54O — CID 150674168

IUPAC9-octyloctadecan-9-ol
SMILESCCCCCCCCCC(O)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C26H54O/c1-4-7-10-13-16-19-22-25-26(27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h27H,4-25H2,1-3H3
InChIKeyJGNAOMBTROKMGM-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.36
Rot. Bonds22

About 9-octyloctadecan-9-ol

9-octyloctadecan-9-ol (PubChem CID 150674168) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 9-octyloctadecan-9-ol.

Molecular Properties

Compound Name9-octyloctadecan-9-ol
PubChem CID150674168
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name9-octyloctadecan-9-ol
SMILESCCCCCCCCCC(O)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C26H54O/c1-4-7-10-13-16-19-22-25-26(27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h27H,4-25H2,1-3H3
InChIKeyJGNAOMBTROKMGM-UHFFFAOYSA-N
XLogP9.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.36
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

7-hexylhexadecan-7-ol
CID 141253911
7-pentylpentadecan-7-ol
CID 12913436
4-decyltetradecane-1,4-diol
CID 170650453
9-ethylheptadecan-9-ol
CID 86166082
3-butyldecane-1,3-diol
CID 88924042
2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
17-(aminomethyl)tritriacontan-17-ol
CID 87248679
3-propyloctane-1,3-diol
CID 88923981
2-heptylhexane-1,2,6-triol
CID 22481106
2-ethyltridecane-1,2-diol
CID 88923996
triacontane-1,1,1-triol
CID 87376487

Frequently Asked Questions

What is the IUPAC name of 9-octyloctadecan-9-ol?
The IUPAC name of 9-octyloctadecan-9-ol (CID 150674168) is 9-octyloctadecan-9-ol.
What is the SMILES notation for 9-octyloctadecan-9-ol?
The canonical SMILES for 9-octyloctadecan-9-ol is CCCCCCCCCC(O)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 9-octyloctadecan-9-ol?
The InChIKey is JGNAOMBTROKMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-4-7-10-13-16-19-22-25-26(27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h27H,4-25H2,1-3H3.
What are the key properties of 9-octyloctadecan-9-ol?
9-octyloctadecan-9-ol has a molecular weight of 382.72 g/mol, XLogP of 9.36, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octyloctadecan-9-ol is sourced from PubChem (CID 150674168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).