ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium

C13H25V- — CID 161094138

IUPACethane;4-propan-2-ylhexa-2,4-dienylidenevanadium
SMILESC/[C-]=C(/C=CC=[V])C(C)C.CC.CC
InChIInChI=1S/C9H13.2C2H6.V/c1-5-7-9(6-2)8(3)4;2*1-2;/h1,5,7-8H,2-4H3;2*1-2H3;/q-1;;;
InChIKeyYHVFZYOPOUCRJJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.35
Rot. Bonds3

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

ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium (PubChem CID 161094138) has the molecular formula C13H25V- and a molecular weight of 232.29 g/mol. Its IUPAC name is ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium.

Molecular Properties

Compound Nameethane;4-propan-2-ylhexa-2,4-dienylidenevanadium
PubChem CID161094138
Molecular FormulaC13H25V-
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Nameethane;4-propan-2-ylhexa-2,4-dienylidenevanadium
SMILESC/[C-]=C(/C=CC=[V])C(C)C.CC.CC
InChIInChI=1S/C9H13.2C2H6.V/c1-5-7-9(6-2)8(3)4;2*1-2;/h1,5,7-8H,2-4H3;2*1-2H3;/q-1;;;
InChIKeyYHVFZYOPOUCRJJ-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
4,6,6-trimethylhepta-2,4-dienylidenevanadium
CID 149391182
4-methylpent-1-en-3-ylidenevanadium
CID 162282723
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
3-(difluoromethylimino)-4-methylpent-1-en-1-amine
CID 153070776
ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
CID 177140629
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
4-methylpent-2-en-3-amine
CID 72590374
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
lanthanum(3+);propane;4-propan-2-ylhexa-1,4-diene
CID 146903770
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
(2Z,4Z)-7-methyl-6-methylideneocta-2,4-dien-2-amine
CID 90277185

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium?
The IUPAC name of ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium (CID 161094138) is ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium.
What is the SMILES notation for ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium?
The canonical SMILES for ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium is C/[C-]=C(/C=CC=[V])C(C)C.CC.CC.
What is the InChIKey of ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium?
The InChIKey is YHVFZYOPOUCRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.2C2H6.V/c1-5-7-9(6-2)8(3)4;2*1-2;/h1,5,7-8H,2-4H3;2*1-2H3;/q-1;;;.
What are the key properties of ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium?
ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium has a molecular weight of 232.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylhexa-2,4-dienylidenevanadium is sourced from PubChem (CID 161094138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).