5-methyl-5-propan-2-yloctan-4-one

C12H24O — CID 123521732

IUPAC5-methyl-5-propan-2-yloctan-4-one
SMILESCCCC(=O)C(C)(CCC)C(C)C
InChIInChI=1S/C12H24O/c1-6-8-11(13)12(5,9-7-2)10(3)4/h10H,6-9H2,1-5H3
InChIKeyPWMNDJZYEIPPKY-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.82
Rot. Bonds6

About 5-methyl-5-propan-2-yloctan-4-one

5-methyl-5-propan-2-yloctan-4-one (PubChem CID 123521732) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yloctan-4-one.

Molecular Properties

Compound Name5-methyl-5-propan-2-yloctan-4-one
PubChem CID123521732
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-methyl-5-propan-2-yloctan-4-one
SMILESCCCC(=O)C(C)(CCC)C(C)C
InChIInChI=1S/C12H24O/c1-6-8-11(13)12(5,9-7-2)10(3)4/h10H,6-9H2,1-5H3
InChIKeyPWMNDJZYEIPPKY-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-hydroxy-5-propan-2-yloctan-4-one
CID 121217425
2,2,3-trimethyl-3-propan-2-ylheptan-4-one
CID 170848971
1,1,1,3,3,3-hexafluoropropan-2-yl 2-methyl-2-propan-2-ylpentanoate
CID 87171126
5,5-dichlorooctan-4-one
CID 10987199
3-oxo-2,2-di(propan-2-yl)hexanoic acid
CID 173314036
2,3-dimethyl-3-propoxyheptan-4-one
CID 83225943
(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate
CID 70649113
5,5-dimethoxyoctan-4-one
CID 15697897
N,N,2-trimethyl-2-propan-2-ylhexanamide
CID 3016600
bis(3-methylhexan-3-yl) butanedioate
CID 22726145
1,1,1-trichloropentan-2-one
CID 87815684
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yloctan-4-one?
The IUPAC name of 5-methyl-5-propan-2-yloctan-4-one (CID 123521732) is 5-methyl-5-propan-2-yloctan-4-one.
What is the SMILES notation for 5-methyl-5-propan-2-yloctan-4-one?
The canonical SMILES for 5-methyl-5-propan-2-yloctan-4-one is CCCC(=O)C(C)(CCC)C(C)C.
What is the InChIKey of 5-methyl-5-propan-2-yloctan-4-one?
The InChIKey is PWMNDJZYEIPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-8-11(13)12(5,9-7-2)10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of 5-methyl-5-propan-2-yloctan-4-one?
5-methyl-5-propan-2-yloctan-4-one has a molecular weight of 184.32 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yloctan-4-one is sourced from PubChem (CID 123521732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).