(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one

C12H18O2 — CID 143328964

IUPAC(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one
SMILESC/C=C\C=C(/C=C/OC)CCC(C)=O
InChIInChI=1S/C12H18O2/c1-4-5-6-12(9-10-14-3)8-7-11(2)13/h4-6,9-10H,7-8H2,1-3H3/b5-4-,10-9+,12-6-
InChIKeyILDQCNYBAKAEFG-NOBOLRJRSA-N
MW194.27 g/mol
LogP3.02
Rot. Bonds6

About (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one

(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one (PubChem CID 143328964) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one.

Molecular Properties

Compound Name(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one
PubChem CID143328964
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one
SMILESC/C=C\C=C(/C=C/OC)CCC(C)=O
InChIInChI=1S/C12H18O2/c1-4-5-6-12(9-10-14-3)8-7-11(2)13/h4-6,9-10H,7-8H2,1-3H3/b5-4-,10-9+,12-6-
InChIKeyILDQCNYBAKAEFG-NOBOLRJRSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 100961260
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
hexane-2,5-dione
CID 8035
methane;(E)-oct-6-ene-2,5-dione
CID 159043306
5-methoxypenta-2,4-dienoic acid
CID 54531073
butanedioic acid;1-methoxyprop-1-ene;2-methylprop-1-ene
CID 159984843
4-prop-1-enoxybutan-2-one
CID 71435661
N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-3,5-dienyl]ethanimine
CID 170235375
(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
CID 156886752
methyl 2-(hydroxymethylidene)-5-oxohexanoate
CID 59876412
methyl (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienoate
CID 143172272
(4Z,6E)-2-methyl-4-propylocta-2,4,6-triene
CID 142379539

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one?
The IUPAC name of (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one (CID 143328964) is (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one.
What is the SMILES notation for (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one?
The canonical SMILES for (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one is C/C=C\C=C(/C=C/OC)CCC(C)=O.
What is the InChIKey of (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one?
The InChIKey is ILDQCNYBAKAEFG-NOBOLRJRSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-5-6-12(9-10-14-3)8-7-11(2)13/h4-6,9-10H,7-8H2,1-3H3/b5-4-,10-9+,12-6-.
What are the key properties of (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one?
(5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one has a molecular weight of 194.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5-[(E)-2-methoxyethenyl]nona-5,7-dien-2-one is sourced from PubChem (CID 143328964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).