2-methylundecan-6-one

C12H24O — CID 86122551

IUPAC2-methylundecan-6-one
SMILESCCCCCC(=O)CCCC(C)C
InChIInChI=1S/C12H24O/c1-4-5-6-9-12(13)10-7-8-11(2)3/h11H,4-10H2,1-3H3
InChIKeySBCHHCQPSZRPTO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.96
Rot. Bonds8

About 2-methylundecan-6-one

2-methylundecan-6-one (PubChem CID 86122551) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methylundecan-6-one.

Molecular Properties

Compound Name2-methylundecan-6-one
PubChem CID86122551
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methylundecan-6-one
SMILESCCCCCC(=O)CCCC(C)C
InChIInChI=1S/C12H24O/c1-4-5-6-9-12(13)10-7-8-11(2)3/h11H,4-10H2,1-3H3
InChIKeySBCHHCQPSZRPTO-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.96
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-methyltetradecan-5-one
CID 19931308
2,16-dimethylheptadecan-6-one
CID 158111781
2-methyloctane;molecular hydrogen;nonane;nonan-5-one;hydrate
CID 158949814
2-aminoundecan-6-one
CID 116610207
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of 2-methylundecan-6-one?
The IUPAC name of 2-methylundecan-6-one (CID 86122551) is 2-methylundecan-6-one.
What is the SMILES notation for 2-methylundecan-6-one?
The canonical SMILES for 2-methylundecan-6-one is CCCCCC(=O)CCCC(C)C.
What is the InChIKey of 2-methylundecan-6-one?
The InChIKey is SBCHHCQPSZRPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-5-6-9-12(13)10-7-8-11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-methylundecan-6-one?
2-methylundecan-6-one has a molecular weight of 184.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundecan-6-one is sourced from PubChem (CID 86122551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).