2-methyltetradecan-5-one

C15H30O — CID 19931308

IUPAC2-methyltetradecan-5-one
SMILESCCCCCCCCCC(=O)CCC(C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-15(16)13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKeyKMULDDVWBIYGOX-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.13
Rot. Bonds11

About 2-methyltetradecan-5-one

2-methyltetradecan-5-one (PubChem CID 19931308) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-methyltetradecan-5-one.

Molecular Properties

Compound Name2-methyltetradecan-5-one
PubChem CID19931308
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-methyltetradecan-5-one
SMILESCCCCCCCCCC(=O)CCC(C)C
InChIInChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-15(16)13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKeyKMULDDVWBIYGOX-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.13
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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Related Compounds

35-methylhexatriacontan-18-one
CID 154265958
2-methylundecan-6-one
CID 86122551
2-chlorohexadecan-5-one
CID 174534085
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
2-chlorotetradecan-5-one
CID 174533652
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
2-methyloctane;molecular hydrogen;nonane;nonan-5-one;hydrate
CID 158949814

Frequently Asked Questions

What is the IUPAC name of 2-methyltetradecan-5-one?
The IUPAC name of 2-methyltetradecan-5-one (CID 19931308) is 2-methyltetradecan-5-one.
What is the SMILES notation for 2-methyltetradecan-5-one?
The canonical SMILES for 2-methyltetradecan-5-one is CCCCCCCCCC(=O)CCC(C)C.
What is the InChIKey of 2-methyltetradecan-5-one?
The InChIKey is KMULDDVWBIYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-5-6-7-8-9-10-11-15(16)13-12-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 2-methyltetradecan-5-one?
2-methyltetradecan-5-one has a molecular weight of 226.40 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltetradecan-5-one is sourced from PubChem (CID 19931308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).