9-butyl-10-methyloctadecan-9-ol

C23H48O — CID 173066845

IUPAC9-butyl-10-methyloctadecan-9-ol
SMILESCCCCCCCCC(C)C(O)(CCCC)CCCCCCCC
InChIInChI=1S/C23H48O/c1-5-8-11-13-15-17-19-22(4)23(24,20-10-7-3)21-18-16-14-12-9-6-2/h22,24H,5-21H2,1-4H3
InChIKeyOLSWYHYCIYHFSG-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.05
Rot. Bonds18

About 9-butyl-10-methyloctadecan-9-ol

9-butyl-10-methyloctadecan-9-ol (PubChem CID 173066845) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 9-butyl-10-methyloctadecan-9-ol.

Molecular Properties

Compound Name9-butyl-10-methyloctadecan-9-ol
PubChem CID173066845
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name9-butyl-10-methyloctadecan-9-ol
SMILESCCCCCCCCC(C)C(O)(CCCC)CCCCCCCC
InChIInChI=1S/C23H48O/c1-5-8-11-13-15-17-19-22(4)23(24,20-10-7-3)21-18-16-14-12-9-6-2/h22,24H,5-21H2,1-4H3
InChIKeyOLSWYHYCIYHFSG-UHFFFAOYSA-N
XLogP8.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.05
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

3-ethyl-4-methyldodecan-3-ol
CID 173066950
9-butyl-10-pentyloctadecan-9-ol
CID 90871150
8-pentylhexadecane-8,9-diol
CID 141007443
10-butyl-9-octyloctadecan-9-ol
CID 91405283
5,6-dibutyldodecan-5-ol
CID 91807952
16-butyl-15-tetradecylhentriacontan-15-ol
CID 175499953
3-decyltridecane-2,3-diol
CID 175905550
13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698
3-ethyl-2-methylnonan-3-ol
CID 65146597
4-methyldodecane-3,3-diol
CID 152575890
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941

Frequently Asked Questions

What is the IUPAC name of 9-butyl-10-methyloctadecan-9-ol?
The IUPAC name of 9-butyl-10-methyloctadecan-9-ol (CID 173066845) is 9-butyl-10-methyloctadecan-9-ol.
What is the SMILES notation for 9-butyl-10-methyloctadecan-9-ol?
The canonical SMILES for 9-butyl-10-methyloctadecan-9-ol is CCCCCCCCC(C)C(O)(CCCC)CCCCCCCC.
What is the InChIKey of 9-butyl-10-methyloctadecan-9-ol?
The InChIKey is OLSWYHYCIYHFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-5-8-11-13-15-17-19-22(4)23(24,20-10-7-3)21-18-16-14-12-9-6-2/h22,24H,5-21H2,1-4H3.
What are the key properties of 9-butyl-10-methyloctadecan-9-ol?
9-butyl-10-methyloctadecan-9-ol has a molecular weight of 340.64 g/mol, XLogP of 8.05, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-10-methyloctadecan-9-ol is sourced from PubChem (CID 173066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).