[(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten

C8H10OW — CID 59917037

IUPAC[(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten
SMILESC=C/C(C)=C\C(=[W])C(C)=O
InChIInChI=1S/C8H10O.W/c1-4-7(2)5-6-8(3)9;/h4-5H,1H2,2-3H3;/b7-5-;
InChIKeySOVFRVUHLUJBNV-YJOCEBFMSA-N
MW306.01 g/mol
LogP1.43
Rot. Bonds3

About [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten

[(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten (PubChem CID 59917037) has the molecular formula C8H10OW and a molecular weight of 306.01 g/mol. Its IUPAC name is [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten.

Molecular Properties

Compound Name[(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten
PubChem CID59917037
Molecular FormulaC8H10OW
Molecular Weight306.01 g/mol
Exact Mass306.02
IUPAC Name[(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten
SMILESC=C/C(C)=C\C(=[W])C(C)=O
InChIInChI=1S/C8H10O.W/c1-4-7(2)5-6-8(3)9;/h4-5H,1H2,2-3H3;/b7-5-;
InChIKeySOVFRVUHLUJBNV-YJOCEBFMSA-N
XLogP1.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.01
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-amino-6-methylocta-2,5,7-trien-4-one
CID 163530566
(3E,5E)-4,6-dimethyl-3-prop-1-en-2-ylocta-3,5,7-trien-2-one
CID 143377880
(3E)-3,4-dimethylhexa-3,5-dien-2-one
CID 45085191
methyl 4-methyl-2-methylidenehexa-3,5-dienoate
CID 173110584
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3Z)-2,4-dimethylhexa-3,5-dienoic acid
CID 131488033
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;hydrochloride
CID 172746503
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
(3E,5E)-6-methyl-3-prop-1-en-2-ylocta-3,5,7-trien-2-one
CID 88886071
(3E,5E)-4-chloro-3,6-dimethylocta-1,3,5,7-tetraene
CID 139683602

Frequently Asked Questions

What is the IUPAC name of [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten?
The IUPAC name of [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten (CID 59917037) is [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten.
What is the SMILES notation for [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten?
The canonical SMILES for [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten is C=C/C(C)=C\C(=[W])C(C)=O.
What is the InChIKey of [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten?
The InChIKey is SOVFRVUHLUJBNV-YJOCEBFMSA-N. The full InChI is InChI=1S/C8H10O.W/c1-4-7(2)5-6-8(3)9;/h4-5H,1H2,2-3H3;/b7-5-;.
What are the key properties of [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten?
[(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten has a molecular weight of 306.01 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-5-methyl-2-oxohepta-4,6-dien-3-ylidene]tungsten is sourced from PubChem (CID 59917037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).