8-methylnon-7-en-5-yn-2-one

C10H14O — CID 177439253

IUPAC8-methylnon-7-en-5-yn-2-one
SMILESCC(=O)CCC#CC=C(C)C
InChIInChI=1S/C10H14O/c1-9(2)7-5-4-6-8-10(3)11/h7H,6,8H2,1-3H3
InChIKeyXHSUNPPTRWFIRV-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.33
Rot. Bonds2

About 8-methylnon-7-en-5-yn-2-one

8-methylnon-7-en-5-yn-2-one (PubChem CID 177439253) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 8-methylnon-7-en-5-yn-2-one.

Molecular Properties

Compound Name8-methylnon-7-en-5-yn-2-one
PubChem CID177439253
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name8-methylnon-7-en-5-yn-2-one
SMILESCC(=O)CCC#CC=C(C)C
InChIInChI=1S/C10H14O/c1-9(2)7-5-4-6-8-10(3)11/h7H,6,8H2,1-3H3
InChIKeyXHSUNPPTRWFIRV-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

non-5-yn-2-one
CID 14901661
(9E)-10,14-dimethylpentadeca-9,13-dien-5-yn-2-one
CID 10060501
14-oxopentadec-10-ynoic acid
CID 21432369
hexane-2,5-dione
CID 8035
9-oxodec-4-ynoic acid
CID 12893740
palladium;pentan-2-one
CID 174766041
dimethyl (E)-dec-4-en-6-ynedioate
CID 102239978
(Z)-3-methyl-6-oxohept-2-enenitrile
CID 45085492
methyl 7-oxooct-2-ynoate
CID 10352074
5-methylhex-4-en-2-ynylcyclohexane
CID 162513481
6-(furan-2-yl)hex-5-yn-2-one
CID 125495347
methane;methyl 4-oxopentanoate
CID 157451764

Frequently Asked Questions

What is the IUPAC name of 8-methylnon-7-en-5-yn-2-one?
The IUPAC name of 8-methylnon-7-en-5-yn-2-one (CID 177439253) is 8-methylnon-7-en-5-yn-2-one.
What is the SMILES notation for 8-methylnon-7-en-5-yn-2-one?
The canonical SMILES for 8-methylnon-7-en-5-yn-2-one is CC(=O)CCC#CC=C(C)C.
What is the InChIKey of 8-methylnon-7-en-5-yn-2-one?
The InChIKey is XHSUNPPTRWFIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-9(2)7-5-4-6-8-10(3)11/h7H,6,8H2,1-3H3.
What are the key properties of 8-methylnon-7-en-5-yn-2-one?
8-methylnon-7-en-5-yn-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnon-7-en-5-yn-2-one is sourced from PubChem (CID 177439253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).