(E)-7-methylnon-6-en-3-one

C10H18O — CID 22749805

IUPAC(E)-7-methylnon-6-en-3-one
SMILESCCC(=O)CC/C=C(\C)CC
InChIInChI=1S/C10H18O/c1-4-9(3)7-6-8-10(11)5-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyHKOJBOJXQMRVFD-VQHVLOKHSA-N
MW154.25 g/mol
LogP3.10
Rot. Bonds5

About (E)-7-methylnon-6-en-3-one

(E)-7-methylnon-6-en-3-one (PubChem CID 22749805) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-7-methylnon-6-en-3-one.

Molecular Properties

Compound Name(E)-7-methylnon-6-en-3-one
PubChem CID22749805
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-7-methylnon-6-en-3-one
SMILESCCC(=O)CC/C=C(\C)CC
InChIInChI=1S/C10H18O/c1-4-9(3)7-6-8-10(11)5-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyHKOJBOJXQMRVFD-VQHVLOKHSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.10
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

(6E,10E)-11-methyltrideca-6,10-dien-3-one
CID 135383533
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(E)-5-methylhept-4-enoic acid
CID 83694352
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
(9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-3-one
CID 139632164
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
ethyl (Z)-5-methylhept-4-enoate
CID 11116490
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
2,6-dimethylocta-1,5-diene
CID 54025904
ethyl (2E,6Z)-3,7-dimethylnona-2,6-dienoate
CID 2297686
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784

Frequently Asked Questions

What is the IUPAC name of (E)-7-methylnon-6-en-3-one?
The IUPAC name of (E)-7-methylnon-6-en-3-one (CID 22749805) is (E)-7-methylnon-6-en-3-one.
What is the SMILES notation for (E)-7-methylnon-6-en-3-one?
The canonical SMILES for (E)-7-methylnon-6-en-3-one is CCC(=O)CC/C=C(\C)CC.
What is the InChIKey of (E)-7-methylnon-6-en-3-one?
The InChIKey is HKOJBOJXQMRVFD-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O/c1-4-9(3)7-6-8-10(11)5-2/h7H,4-6,8H2,1-3H3/b9-7+.
What are the key properties of (E)-7-methylnon-6-en-3-one?
(E)-7-methylnon-6-en-3-one has a molecular weight of 154.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methylnon-6-en-3-one is sourced from PubChem (CID 22749805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).