14-methylpentadecane-2,13-dione

C16H30O2 — CID 88544438

IUPAC14-methylpentadecane-2,13-dione
SMILESCC(=O)CCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C16H30O2/c1-14(2)16(18)13-11-9-7-5-4-6-8-10-12-15(3)17/h14H,4-13H2,1-3H3
InChIKeyJGMKEXNSSWQOMD-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.70
Rot. Bonds12

About 14-methylpentadecane-2,13-dione

14-methylpentadecane-2,13-dione (PubChem CID 88544438) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 14-methylpentadecane-2,13-dione.

Molecular Properties

Compound Name14-methylpentadecane-2,13-dione
PubChem CID88544438
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name14-methylpentadecane-2,13-dione
SMILESCC(=O)CCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C16H30O2/c1-14(2)16(18)13-11-9-7-5-4-6-8-10-12-15(3)17/h14H,4-13H2,1-3H3
InChIKeyJGMKEXNSSWQOMD-UHFFFAOYSA-N
XLogP4.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.70
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

7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
9-methyl-8-oxodecanamide
CID 168891746
2-methylhexadecan-3-one
CID 58030381
9-methylundecane-2,8-dione
CID 178033213
2,8-dimethylnon-8-en-3-one
CID 114477246
2,19-dimethylhenicosane-3,18-dione
CID 138498522
12-methyltridecane-3,4,11-trione
CID 22953560
8-methylnonan-2-one
CID 528744
18-methylnonadecan-2-one
CID 90921447

Frequently Asked Questions

What is the IUPAC name of 14-methylpentadecane-2,13-dione?
The IUPAC name of 14-methylpentadecane-2,13-dione (CID 88544438) is 14-methylpentadecane-2,13-dione.
What is the SMILES notation for 14-methylpentadecane-2,13-dione?
The canonical SMILES for 14-methylpentadecane-2,13-dione is CC(=O)CCCCCCCCCCC(=O)C(C)C.
What is the InChIKey of 14-methylpentadecane-2,13-dione?
The InChIKey is JGMKEXNSSWQOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-14(2)16(18)13-11-9-7-5-4-6-8-10-12-15(3)17/h14H,4-13H2,1-3H3.
What are the key properties of 14-methylpentadecane-2,13-dione?
14-methylpentadecane-2,13-dione has a molecular weight of 254.41 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentadecane-2,13-dione is sourced from PubChem (CID 88544438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).