2,2-dimethyldecan-3-one

C12H24O — CID 10867020

IUPAC2,2-dimethyldecan-3-one
SMILESCCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-5-6-7-8-9-10-11(13)12(2,3)4/h5-10H2,1-4H3
InChIKeyVYQKBQPWMKITOI-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.96
Rot. Bonds6

About 2,2-dimethyldecan-3-one

2,2-dimethyldecan-3-one (PubChem CID 10867020) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,2-dimethyldecan-3-one.

Molecular Properties

Compound Name2,2-dimethyldecan-3-one
PubChem CID10867020
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,2-dimethyldecan-3-one
SMILESCCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C12H24O/c1-5-6-7-8-9-10-11(13)12(2,3)4/h5-10H2,1-4H3
InChIKeyVYQKBQPWMKITOI-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldecan-3-one?
The IUPAC name of 2,2-dimethyldecan-3-one (CID 10867020) is 2,2-dimethyldecan-3-one.
What is the SMILES notation for 2,2-dimethyldecan-3-one?
The canonical SMILES for 2,2-dimethyldecan-3-one is CCCCCCCC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyldecan-3-one?
The InChIKey is VYQKBQPWMKITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-6-7-8-9-10-11(13)12(2,3)4/h5-10H2,1-4H3.
What are the key properties of 2,2-dimethyldecan-3-one?
2,2-dimethyldecan-3-one has a molecular weight of 184.32 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldecan-3-one is sourced from PubChem (CID 10867020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).