14-methylpentadecane-2,8-dione

C16H30O2 — CID 159096890

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

About 14-methylpentadecane-2,8-dione

14-methylpentadecane-2,8-dione (PubChem CID 159096890) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 14-methylpentadecane-2,8-dione.

Molecular Properties

Compound Name14-methylpentadecane-2,8-dione
PubChem CID159096890
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name14-methylpentadecane-2,8-dione
SMILESCC(=O)CCCCCC(=O)CCCCCC(C)C
InChIInChI=1S/C16H30O2/c1-14(2)10-6-4-8-12-16(18)13-9-5-7-11-15(3)17/h14H,4-13H2,1-3H3
InChIKeyRCCYLQAYAZRUHW-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

18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
2,16-dimethylheptadecan-6-one
CID 158111781
35-methylhexatriacontan-18-one
CID 154265958
ethane;10-(8-methylnonylamino)decan-2-one;molecular hydrogen
CID 169159535
11-methyldodecanethioic S-acid
CID 172636050
8,10-dimethylundecan-2-one
CID 90238828
13-methyl-3-oxotetradecanoic acid
CID 171037403
2-methylundecan-6-one
CID 86122551
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
pentadecane-2,14-dione
CID 10966641

Frequently Asked Questions

What is the IUPAC name of 14-methylpentadecane-2,8-dione?
The IUPAC name of 14-methylpentadecane-2,8-dione (CID 159096890) is 14-methylpentadecane-2,8-dione.
What is the SMILES notation for 14-methylpentadecane-2,8-dione?
The canonical SMILES for 14-methylpentadecane-2,8-dione is CC(=O)CCCCCC(=O)CCCCCC(C)C.
What is the InChIKey of 14-methylpentadecane-2,8-dione?
The InChIKey is RCCYLQAYAZRUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-14(2)10-6-4-8-12-16(18)13-9-5-7-11-15(3)17/h14H,4-13H2,1-3H3.
What are the key properties of 14-methylpentadecane-2,8-dione?
14-methylpentadecane-2,8-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-2,8-dione is sourced from PubChem (CID 159096890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).