15-methyltriacontane-14,17-dione

C31H60O2 — CID 57233805

IUPAC15-methyltriacontane-14,17-dione
SMILESCCCCCCCCCCCCCC(=O)CC(C)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C31H60O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)28-29(3)31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3
InChIKeyWATQHHVYQHDTFG-UHFFFAOYSA-N
MW464.82 g/mol
LogP10.55
Rot. Bonds27

About 15-methyltriacontane-14,17-dione

15-methyltriacontane-14,17-dione (PubChem CID 57233805) has the molecular formula C31H60O2 and a molecular weight of 464.82 g/mol. Its IUPAC name is 15-methyltriacontane-14,17-dione.

Molecular Properties

Compound Name15-methyltriacontane-14,17-dione
PubChem CID57233805
Molecular FormulaC31H60O2
Molecular Weight464.82 g/mol
Exact Mass464.46
IUPAC Name15-methyltriacontane-14,17-dione
SMILESCCCCCCCCCCCCCC(=O)CC(C)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C31H60O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)28-29(3)31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3
InChIKeyWATQHHVYQHDTFG-UHFFFAOYSA-N
XLogP10.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(9Z,29Z)-19-methyloctatriaconta-9,29-diene-18,21-dione
CID 87602106
N,N-dimethylmethanamine;(9Z,19R,29Z)-19-methyloctatriaconta-9,29-diene-18,21-dione
CID 138683043
3-methyl-4-oxopentadecanoic acid
CID 58687449
(2R)-2-methyl-4-oxopentadecanoic acid
CID 163018210
2-methylhexadecan-4-one
CID 63411798
azane;15-propan-2-yltriacontane-14,17-dione
CID 166691893
methyl 3-methyl-4-oxoundecanoate
CID 13301938
2-hydroxyundecan-4-one
CID 57218315
19-aminooctatriacontane-18,21-dione
CID 163964320
2-methylhexadecane-4,7-dione
CID 57053022
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947

Frequently Asked Questions

What is the IUPAC name of 15-methyltriacontane-14,17-dione?
The IUPAC name of 15-methyltriacontane-14,17-dione (CID 57233805) is 15-methyltriacontane-14,17-dione.
What is the SMILES notation for 15-methyltriacontane-14,17-dione?
The canonical SMILES for 15-methyltriacontane-14,17-dione is CCCCCCCCCCCCCC(=O)CC(C)C(=O)CCCCCCCCCCCCC.
What is the InChIKey of 15-methyltriacontane-14,17-dione?
The InChIKey is WATQHHVYQHDTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)28-29(3)31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3.
What are the key properties of 15-methyltriacontane-14,17-dione?
15-methyltriacontane-14,17-dione has a molecular weight of 464.82 g/mol, XLogP of 10.55, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyltriacontane-14,17-dione is sourced from PubChem (CID 57233805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).