4-methyltridecan-7-ol

C14H30O — CID 10512838

IUPAC4-methyltridecan-7-ol
SMILESCCCCCCC(O)CCC(C)CCC
InChIInChI=1S/C14H30O/c1-4-6-7-8-10-14(15)12-11-13(3)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyLUBAALNFUOCCPG-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.53
Rot. Bonds10

About 4-methyltridecan-7-ol

4-methyltridecan-7-ol (PubChem CID 10512838) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 4-methyltridecan-7-ol.

Molecular Properties

Compound Name4-methyltridecan-7-ol
PubChem CID10512838
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name4-methyltridecan-7-ol
SMILESCCCCCCC(O)CCC(C)CCC
InChIInChI=1S/C14H30O/c1-4-6-7-8-10-14(15)12-11-13(3)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyLUBAALNFUOCCPG-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.53
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 4-methyltridecan-7-ol?
The IUPAC name of 4-methyltridecan-7-ol (CID 10512838) is 4-methyltridecan-7-ol.
What is the SMILES notation for 4-methyltridecan-7-ol?
The canonical SMILES for 4-methyltridecan-7-ol is CCCCCCC(O)CCC(C)CCC.
What is the InChIKey of 4-methyltridecan-7-ol?
The InChIKey is LUBAALNFUOCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-4-6-7-8-10-14(15)12-11-13(3)9-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-methyltridecan-7-ol?
4-methyltridecan-7-ol has a molecular weight of 214.39 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltridecan-7-ol is sourced from PubChem (CID 10512838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).