9-methyldodecan-6-ol

C13H28O — CID 10679552

IUPAC9-methyldodecan-6-ol
SMILESCCCCCC(O)CCC(C)CCC
InChIInChI=1S/C13H28O/c1-4-6-7-9-13(14)11-10-12(3)8-5-2/h12-14H,4-11H2,1-3H3
InChIKeyOQNUQRJLHHBVTR-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.14
Rot. Bonds9

About 9-methyldodecan-6-ol

9-methyldodecan-6-ol (PubChem CID 10679552) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 9-methyldodecan-6-ol.

Molecular Properties

Compound Name9-methyldodecan-6-ol
PubChem CID10679552
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name9-methyldodecan-6-ol
SMILESCCCCCC(O)CCC(C)CCC
InChIInChI=1S/C13H28O/c1-4-6-7-9-13(14)11-10-12(3)8-5-2/h12-14H,4-11H2,1-3H3
InChIKeyOQNUQRJLHHBVTR-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 9-methyldodecan-6-ol?
The IUPAC name of 9-methyldodecan-6-ol (CID 10679552) is 9-methyldodecan-6-ol.
What is the SMILES notation for 9-methyldodecan-6-ol?
The canonical SMILES for 9-methyldodecan-6-ol is CCCCCC(O)CCC(C)CCC.
What is the InChIKey of 9-methyldodecan-6-ol?
The InChIKey is OQNUQRJLHHBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-4-6-7-9-13(14)11-10-12(3)8-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 9-methyldodecan-6-ol?
9-methyldodecan-6-ol has a molecular weight of 200.37 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldodecan-6-ol is sourced from PubChem (CID 10679552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).