(E)-7-methoxyoct-6-en-2-one

C9H16O2 — CID 15877252

IUPAC(E)-7-methoxyoct-6-en-2-one
SMILESCO/C(C)=C/CCCC(C)=O
InChIInChI=1S/C9H16O2/c1-8(10)6-4-5-7-9(2)11-3/h7H,4-6H2,1-3H3/b9-7+
InChIKeyQXUVEUAABOQSQW-VQHVLOKHSA-N
MW156.22 g/mol
LogP2.30
Rot. Bonds5

About (E)-7-methoxyoct-6-en-2-one

(E)-7-methoxyoct-6-en-2-one (PubChem CID 15877252) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-7-methoxyoct-6-en-2-one.

Molecular Properties

Compound Name(E)-7-methoxyoct-6-en-2-one
PubChem CID15877252
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-7-methoxyoct-6-en-2-one
SMILESCO/C(C)=C/CCCC(C)=O
InChIInChI=1S/C9H16O2/c1-8(10)6-4-5-7-9(2)11-3/h7H,4-6H2,1-3H3/b9-7+
InChIKeyQXUVEUAABOQSQW-VQHVLOKHSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methoxyhept-2-ene
CID 21160203
(Z)-5-methoxyhex-4-en-2-one
CID 87291047
(Z)-7-methoxy-7-phenylhept-6-en-2-one
CID 100946069
N-methylmethanamine;5-oxohexanal
CID 144530013
methyl 13-methyltetradec-12-enoate
CID 24973726
(E)-6-ethoxy-N-ethylhept-5-enamide
CID 142914571
methyl 8-oxonon-2-enoate
CID 587965
methyl 4-methoxypent-3-enoate
CID 131857194
methyl 7-oxooctanoate
CID 539108
12,12-difluorododec-11-en-2-one
CID 19915358
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
6,7-dimethyloct-5-enoic acid
CID 162716838

Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxyoct-6-en-2-one?
The IUPAC name of (E)-7-methoxyoct-6-en-2-one (CID 15877252) is (E)-7-methoxyoct-6-en-2-one.
What is the SMILES notation for (E)-7-methoxyoct-6-en-2-one?
The canonical SMILES for (E)-7-methoxyoct-6-en-2-one is CO/C(C)=C/CCCC(C)=O.
What is the InChIKey of (E)-7-methoxyoct-6-en-2-one?
The InChIKey is QXUVEUAABOQSQW-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(10)6-4-5-7-9(2)11-3/h7H,4-6H2,1-3H3/b9-7+.
What are the key properties of (E)-7-methoxyoct-6-en-2-one?
(E)-7-methoxyoct-6-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxyoct-6-en-2-one is sourced from PubChem (CID 15877252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).