11-methylnonadecan-7-ol

C20H42O — CID 87923390

IUPAC11-methylnonadecan-7-ol
SMILESCCCCCCCCC(C)CCCC(O)CCCCCC
InChIInChI=1S/C20H42O/c1-4-6-8-10-11-12-15-19(3)16-14-18-20(21)17-13-9-7-5-2/h19-21H,4-18H2,1-3H3
InChIKeyODKLMZIBFFKFOC-UHFFFAOYSA-N
MW298.55 g/mol
LogP6.87
Rot. Bonds16

About 11-methylnonadecan-7-ol

11-methylnonadecan-7-ol (PubChem CID 87923390) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 11-methylnonadecan-7-ol.

Molecular Properties

Compound Name11-methylnonadecan-7-ol
PubChem CID87923390
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name11-methylnonadecan-7-ol
SMILESCCCCCCCCC(C)CCCC(O)CCCCCC
InChIInChI=1S/C20H42O/c1-4-6-8-10-11-12-15-19(3)16-14-18-20(21)17-13-9-7-5-2/h19-21H,4-18H2,1-3H3
InChIKeyODKLMZIBFFKFOC-UHFFFAOYSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 56.87
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

7,11-dimethylpentatriacontane
CID 6430674
nonacosane-7,20-diol
CID 174949468
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
(7R)-hexatriacontan-7-ol
CID 88529159
10,14,18-trimethyldotriacontane
CID 86017574
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778

Frequently Asked Questions

What is the IUPAC name of 11-methylnonadecan-7-ol?
The IUPAC name of 11-methylnonadecan-7-ol (CID 87923390) is 11-methylnonadecan-7-ol.
What is the SMILES notation for 11-methylnonadecan-7-ol?
The canonical SMILES for 11-methylnonadecan-7-ol is CCCCCCCCC(C)CCCC(O)CCCCCC.
What is the InChIKey of 11-methylnonadecan-7-ol?
The InChIKey is ODKLMZIBFFKFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-4-6-8-10-11-12-15-19(3)16-14-18-20(21)17-13-9-7-5-2/h19-21H,4-18H2,1-3H3.
What are the key properties of 11-methylnonadecan-7-ol?
11-methylnonadecan-7-ol has a molecular weight of 298.55 g/mol, XLogP of 6.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylnonadecan-7-ol is sourced from PubChem (CID 87923390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).