4,6,6-trimethylhepta-2,4-dienylidenevanadium

C10H16V — CID 149391182

IUPAC4,6,6-trimethylhepta-2,4-dienylidenevanadium
SMILESCC(C=CC=[V])=CC(C)(C)C
InChIInChI=1S/C10H16.V/c1-6-7-9(2)8-10(3,4)5;/h1,6-8H,2-5H3;
InChIKeyAUHJCDOSAALYAS-UHFFFAOYSA-N
MW187.18 g/mol
LogP2.88
Rot. Bonds2

About 4,6,6-trimethylhepta-2,4-dienylidenevanadium

4,6,6-trimethylhepta-2,4-dienylidenevanadium (PubChem CID 149391182) has the molecular formula C10H16V and a molecular weight of 187.18 g/mol. Its IUPAC name is 4,6,6-trimethylhepta-2,4-dienylidenevanadium.

Molecular Properties

Compound Name4,6,6-trimethylhepta-2,4-dienylidenevanadium
PubChem CID149391182
Molecular FormulaC10H16V
Molecular Weight187.18 g/mol
Exact Mass187.07
IUPAC Name4,6,6-trimethylhepta-2,4-dienylidenevanadium
SMILESCC(C=CC=[V])=CC(C)(C)C
InChIInChI=1S/C10H16.V/c1-6-7-9(2)8-10(3,4)5;/h1,6-8H,2-5H3;
InChIKeyAUHJCDOSAALYAS-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886
[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide
CID 125180328
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene
CID 12002581
2,4,4-trimethyl-3-[(1E,3E,5E,7E)-3,7,9,9-tetramethyldeca-1,3,5,7-tetraenyl]cyclohex-2-en-1-one
CID 143285180
4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
(Z)-2-isocyano-4,4-dimethylpent-2-ene
CID 88856835
4,4-dimethyl-2-phosphorosopent-2-ene
CID 57008494

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethylhepta-2,4-dienylidenevanadium?
The IUPAC name of 4,6,6-trimethylhepta-2,4-dienylidenevanadium (CID 149391182) is 4,6,6-trimethylhepta-2,4-dienylidenevanadium.
What is the SMILES notation for 4,6,6-trimethylhepta-2,4-dienylidenevanadium?
The canonical SMILES for 4,6,6-trimethylhepta-2,4-dienylidenevanadium is CC(C=CC=[V])=CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethylhepta-2,4-dienylidenevanadium?
The InChIKey is AUHJCDOSAALYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.V/c1-6-7-9(2)8-10(3,4)5;/h1,6-8H,2-5H3;.
What are the key properties of 4,6,6-trimethylhepta-2,4-dienylidenevanadium?
4,6,6-trimethylhepta-2,4-dienylidenevanadium has a molecular weight of 187.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethylhepta-2,4-dienylidenevanadium is sourced from PubChem (CID 149391182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).