7-ethenyl-8-methyldecan-4-one

C13H24O — CID 176967408

IUPAC7-ethenyl-8-methyldecan-4-one
SMILESC=CC(CCC(=O)CCC)C(C)CC
InChIInChI=1S/C13H24O/c1-5-8-13(14)10-9-12(7-3)11(4)6-2/h7,11-12H,3,5-6,8-10H2,1-2,4H3
InChIKeyKCPZEDZKPFGBRC-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.98
Rot. Bonds8

About 7-ethenyl-8-methyldecan-4-one

7-ethenyl-8-methyldecan-4-one (PubChem CID 176967408) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 7-ethenyl-8-methyldecan-4-one.

Molecular Properties

Compound Name7-ethenyl-8-methyldecan-4-one
PubChem CID176967408
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name7-ethenyl-8-methyldecan-4-one
SMILESC=CC(CCC(=O)CCC)C(C)CC
InChIInChI=1S/C13H24O/c1-5-8-13(14)10-9-12(7-3)11(4)6-2/h7,11-12H,3,5-6,8-10H2,1-2,4H3
InChIKeyKCPZEDZKPFGBRC-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-diacetylphenyl)propanamide;ethane;7-ethenyl-8-methyldecan-4-one
CID 176967427
7-ethylnonan-4-one
CID 537776
2-methyl-5-oxooctanal
CID 155026119
methyl 2-ethenyl-3-hydroxy-6-oxononanoate
CID 11042485
9-ethylundecane-4,6-dione
CID 175392725
7-(methoxymethyl)nonan-4-one
CID 123531318
7-nitrodec-9-en-4-one
CID 102291523
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
9-amino-7-methylnonan-4-one
CID 116581538
(2R,3R)-2-bromo-3-ethenylhexanoic acid
CID 5324950
non-8-en-4-one
CID 11137251
propan-2-yl (3S,4R)-4-ethenyl-3-methyl-2-oxoheptanoate
CID 101004444

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-8-methyldecan-4-one?
The IUPAC name of 7-ethenyl-8-methyldecan-4-one (CID 176967408) is 7-ethenyl-8-methyldecan-4-one.
What is the SMILES notation for 7-ethenyl-8-methyldecan-4-one?
The canonical SMILES for 7-ethenyl-8-methyldecan-4-one is C=CC(CCC(=O)CCC)C(C)CC.
What is the InChIKey of 7-ethenyl-8-methyldecan-4-one?
The InChIKey is KCPZEDZKPFGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-8-13(14)10-9-12(7-3)11(4)6-2/h7,11-12H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of 7-ethenyl-8-methyldecan-4-one?
7-ethenyl-8-methyldecan-4-one has a molecular weight of 196.33 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-8-methyldecan-4-one is sourced from PubChem (CID 176967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).