6-methylnon-8-en-2-one

C10H18O — CID 87772414

IUPAC6-methylnon-8-en-2-one
SMILESC=CCC(C)CCCC(C)=O
InChIInChI=1S/C10H18O/c1-4-6-9(2)7-5-8-10(3)11/h4,9H,1,5-8H2,2-3H3
InChIKeyMVOSNABXYBOQEH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About 6-methylnon-8-en-2-one

6-methylnon-8-en-2-one (PubChem CID 87772414) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-methylnon-8-en-2-one.

Molecular Properties

Compound Name6-methylnon-8-en-2-one
PubChem CID87772414
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-methylnon-8-en-2-one
SMILESC=CCC(C)CCCC(C)=O
InChIInChI=1S/C10H18O/c1-4-6-9(2)7-5-8-10(3)11/h4,9H,1,5-8H2,2-3H3
InChIKeyMVOSNABXYBOQEH-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
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

(6S)-6,10-dimethyltridecan-2-one
CID 87377837
7-methyldecan-2-one
CID 54155197
2,5-dimethyloct-7-enoic acid
CID 155168749
6,10-dimethyldodecan-2-one
CID 14707953
17-methylpentacosan-2-one
CID 57068605
8-methylundecan-2-one
CID 19847213
8,10-dimethylundecan-2-one
CID 90238828
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863
dec-9-ene-2,7-dione
CID 12569346
2-methyl-6-oxoheptanal
CID 14561323
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744

Frequently Asked Questions

What is the IUPAC name of 6-methylnon-8-en-2-one?
The IUPAC name of 6-methylnon-8-en-2-one (CID 87772414) is 6-methylnon-8-en-2-one.
What is the SMILES notation for 6-methylnon-8-en-2-one?
The canonical SMILES for 6-methylnon-8-en-2-one is C=CCC(C)CCCC(C)=O.
What is the InChIKey of 6-methylnon-8-en-2-one?
The InChIKey is MVOSNABXYBOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-9(2)7-5-8-10(3)11/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 6-methylnon-8-en-2-one?
6-methylnon-8-en-2-one has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnon-8-en-2-one is sourced from PubChem (CID 87772414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).