(3E)-4,8-dimethylnona-3,7-dien-2-one

C11H18O — CID 6536892

IUPAC(3E)-4,8-dimethylnona-3,7-dien-2-one
SMILESCC(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+
InChIKeyQAFYGHBGWCPRCI-CSKARUKUSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds4

About (3E)-4,8-dimethylnona-3,7-dien-2-one

(3E)-4,8-dimethylnona-3,7-dien-2-one (PubChem CID 6536892) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3E)-4,8-dimethylnona-3,7-dien-2-one.

Molecular Properties

Compound Name(3E)-4,8-dimethylnona-3,7-dien-2-one
PubChem CID6536892
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3E)-4,8-dimethylnona-3,7-dien-2-one
SMILESCC(=O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+
InChIKeyQAFYGHBGWCPRCI-CSKARUKUSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-5-hepten-2-one
CID 9862
Mesityl oxide
CID 8858
Phorone
CID 10438
Geranylacetone
CID 1549778
3-Octen-2-one
CID 5363229
Pseudoionone
CID 1757003
3-Nonen-2-one
CID 5317045
Germacrone
CID 6436348
Nerylacetone
CID 1713001
6,10-Dimethylundeca-5,9-Dien-2-One
CID 19633
Zerumbone
CID 5470187
Farnesyl acetone
CID 1711945

Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-2-one?
The IUPAC name of (3E)-4,8-dimethylnona-3,7-dien-2-one (CID 6536892) is (3E)-4,8-dimethylnona-3,7-dien-2-one.
What is the SMILES notation for (3E)-4,8-dimethylnona-3,7-dien-2-one?
The canonical SMILES for (3E)-4,8-dimethylnona-3,7-dien-2-one is CC(=O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E)-4,8-dimethylnona-3,7-dien-2-one?
The InChIKey is QAFYGHBGWCPRCI-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+.
What are the key properties of (3E)-4,8-dimethylnona-3,7-dien-2-one?
(3E)-4,8-dimethylnona-3,7-dien-2-one has a molecular weight of 166.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethylnona-3,7-dien-2-one is sourced from PubChem (CID 6536892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).