7-methylhexadecan-8-ol

C17H36O — CID 122652609

IUPAC7-methylhexadecan-8-ol
SMILESCCCCCCCCC(O)C(C)CCCCCC
InChIInChI=1S/C17H36O/c1-4-6-8-10-11-13-15-17(18)16(3)14-12-9-7-5-2/h16-18H,4-15H2,1-3H3
InChIKeyAOTMWMYJQOQXKC-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.70
Rot. Bonds13

About 7-methylhexadecan-8-ol

7-methylhexadecan-8-ol (PubChem CID 122652609) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 7-methylhexadecan-8-ol.

Molecular Properties

Compound Name7-methylhexadecan-8-ol
PubChem CID122652609
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name7-methylhexadecan-8-ol
SMILESCCCCCCCCC(O)C(C)CCCCCC
InChIInChI=1S/C17H36O/c1-4-6-8-10-11-13-15-17(18)16(3)14-12-9-7-5-2/h16-18H,4-15H2,1-3H3
InChIKeyAOTMWMYJQOQXKC-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.70
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

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CID 88908615
4-methyltetradecan-5-ol
CID 65149403
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937
(9R,10R)-9-hydroxy-10-methyloctadecanenitrile
CID 90310037
2-methyldodecane-1,3-diol
CID 14736951
1-amino-3-methylundecan-2-ol
CID 123763620
nonacosane-14,15-diol
CID 91509633
(2R,3S)-dodecane-2,3-diol
CID 163394646
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
8,9-dimethylhexacosane
CID 160651612

Frequently Asked Questions

What is the IUPAC name of 7-methylhexadecan-8-ol?
The IUPAC name of 7-methylhexadecan-8-ol (CID 122652609) is 7-methylhexadecan-8-ol.
What is the SMILES notation for 7-methylhexadecan-8-ol?
The canonical SMILES for 7-methylhexadecan-8-ol is CCCCCCCCC(O)C(C)CCCCCC.
What is the InChIKey of 7-methylhexadecan-8-ol?
The InChIKey is AOTMWMYJQOQXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-4-6-8-10-11-13-15-17(18)16(3)14-12-9-7-5-2/h16-18H,4-15H2,1-3H3.
What are the key properties of 7-methylhexadecan-8-ol?
7-methylhexadecan-8-ol has a molecular weight of 256.47 g/mol, XLogP of 5.70, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylhexadecan-8-ol is sourced from PubChem (CID 122652609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).