bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)

C20H30V — CID 154047489

IUPACbis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
SMILESCCCCc1cc[c-](C)c1.CCCCc1cc[c-](C)c1.[V+2]
InChIInChI=1S/2C10H15.V/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*6-8H,3-5H2,1-2H3;/q2*-1;+2
InChIKeyWSZJVODWIUCSHM-UHFFFAOYSA-N
MW321.40 g/mol
LogP6.11
Rot. Bonds6

About bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)

bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+) (PubChem CID 154047489) has the molecular formula C20H30V and a molecular weight of 321.40 g/mol. Its IUPAC name is bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+).

Molecular Properties

Compound Namebis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
PubChem CID154047489
Molecular FormulaC20H30V
Molecular Weight321.40 g/mol
Exact Mass321.18
IUPAC Namebis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)
SMILESCCCCc1cc[c-](C)c1.CCCCc1cc[c-](C)c1.[V+2]
InChIInChI=1S/2C10H15.V/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*6-8H,3-5H2,1-2H3;/q2*-1;+2
InChIKeyWSZJVODWIUCSHM-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-methylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hafnium
CID 173380449
magnesium bis(2,5-dibutylcyclopenta-1,3-diene)
CID 169222882
bis(2,5-dibutylcyclopenta-1,3-diene);zirconium(2+)
CID 154068385
bis(2-ethyl-5-methylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 87376917
4-butylphosphinine
CID 141455009
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-nonylbenzene
CID 59545302
(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173384658
4-butyl-1-methylpyridin-1-ium fluoride
CID 171569947
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392

Frequently Asked Questions

What is the IUPAC name of bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)?
The IUPAC name of bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+) (CID 154047489) is bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+).
What is the SMILES notation for bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)?
The canonical SMILES for bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+) is CCCCc1cc[c-](C)c1.CCCCc1cc[c-](C)c1.[V+2].
What is the InChIKey of bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)?
The InChIKey is WSZJVODWIUCSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.V/c2*1-3-4-5-10-7-6-9(2)8-10;/h2*6-8H,3-5H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+)?
bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+) has a molecular weight of 321.40 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butyl-5-methylcyclopenta-1,3-diene);vanadium(2+) is sourced from PubChem (CID 154047489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).