25-methyltriacontan-10-one

C31H62O — CID 86172607

IUPAC25-methyltriacontan-10-one
SMILESCCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC
InChIInChI=1S/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3
InChIKeyBRSOYKIAEJTKCP-UHFFFAOYSA-N
MW450.84 g/mol
LogP11.37
Rot. Bonds27

About 25-methyltriacontan-10-one

25-methyltriacontan-10-one (PubChem CID 86172607) has the molecular formula C31H62O and a molecular weight of 450.84 g/mol. Its IUPAC name is 25-methyltriacontan-10-one.

Molecular Properties

Compound Name25-methyltriacontan-10-one
PubChem CID86172607
Molecular FormulaC31H62O
Molecular Weight450.84 g/mol
Exact Mass450.48
IUPAC Name25-methyltriacontan-10-one
SMILESCCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC
InChIInChI=1S/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3
InChIKeyBRSOYKIAEJTKCP-UHFFFAOYSA-N
XLogP11.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.84
LogP ≤ 511.37
H-Bond Donors ≤ 50
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 25-methyltriacontan-10-one?
The IUPAC name of 25-methyltriacontan-10-one (CID 86172607) is 25-methyltriacontan-10-one.
What is the SMILES notation for 25-methyltriacontan-10-one?
The canonical SMILES for 25-methyltriacontan-10-one is CCCCCCCCCC(=O)CCCCCCCCCCCCCCC(C)CCCCC.
What is the InChIKey of 25-methyltriacontan-10-one?
The InChIKey is BRSOYKIAEJTKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62O/c1-4-6-8-9-16-20-24-28-31(32)29-25-21-18-15-13-11-10-12-14-17-19-23-27-30(3)26-22-7-5-2/h30H,4-29H2,1-3H3.
What are the key properties of 25-methyltriacontan-10-one?
25-methyltriacontan-10-one has a molecular weight of 450.84 g/mol, XLogP of 11.37, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25-methyltriacontan-10-one is sourced from PubChem (CID 86172607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).