4-propan-2-ylhexa-2,4-dienylidenevanadium

C9H14V — CID 161094139

IUPAC4-propan-2-ylhexa-2,4-dienylidenevanadium
SMILESCC=C(C=CC=[V])C(C)C
InChIInChI=1S/C9H14.V/c1-5-7-9(6-2)8(3)4;/h1,5-8H,2-4H3;
InChIKeyPJFCXKQRQPCGTQ-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.49
Rot. Bonds3

About 4-propan-2-ylhexa-2,4-dienylidenevanadium

4-propan-2-ylhexa-2,4-dienylidenevanadium (PubChem CID 161094139) has the molecular formula C9H14V and a molecular weight of 173.16 g/mol. Its IUPAC name is 4-propan-2-ylhexa-2,4-dienylidenevanadium.

Molecular Properties

Compound Name4-propan-2-ylhexa-2,4-dienylidenevanadium
PubChem CID161094139
Molecular FormulaC9H14V
Molecular Weight173.16 g/mol
Exact Mass173.05
IUPAC Name4-propan-2-ylhexa-2,4-dienylidenevanadium
SMILESCC=C(C=CC=[V])C(C)C
InChIInChI=1S/C9H14.V/c1-5-7-9(6-2)8(3)4;/h1,5-8H,2-4H3;
InChIKeyPJFCXKQRQPCGTQ-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.49
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

ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142308871
ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094138
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
2-propan-2-ylbut-2-enal
CID 54145685
(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 143080531
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 126626487
(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine
CID 167090365
ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
CID 169242531
4,6,6-trimethylhepta-2,4-dienylidenevanadium
CID 149391182

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylhexa-2,4-dienylidenevanadium?
The IUPAC name of 4-propan-2-ylhexa-2,4-dienylidenevanadium (CID 161094139) is 4-propan-2-ylhexa-2,4-dienylidenevanadium.
What is the SMILES notation for 4-propan-2-ylhexa-2,4-dienylidenevanadium?
The canonical SMILES for 4-propan-2-ylhexa-2,4-dienylidenevanadium is CC=C(C=CC=[V])C(C)C.
What is the InChIKey of 4-propan-2-ylhexa-2,4-dienylidenevanadium?
The InChIKey is PJFCXKQRQPCGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.V/c1-5-7-9(6-2)8(3)4;/h1,5-8H,2-4H3;.
What are the key properties of 4-propan-2-ylhexa-2,4-dienylidenevanadium?
4-propan-2-ylhexa-2,4-dienylidenevanadium has a molecular weight of 173.16 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylhexa-2,4-dienylidenevanadium is sourced from PubChem (CID 161094139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).