5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium

C18H26V-6 — CID 173190648

IUPAC5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium
SMILESCCCC[c-]1[cH-][cH-][cH-][cH-]1.CCCC[c-]1cccc1.[V]
InChIInChI=1S/2C9H13.V/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q-5;-1;
InChIKeyNLRPMEOXFRYLAW-UHFFFAOYSA-N
MW293.35 g/mol
LogP5.49
Rot. Bonds6

About 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium

5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium (PubChem CID 173190648) has the molecular formula C18H26V-6 and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium.

Molecular Properties

Compound Name5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium
PubChem CID173190648
Molecular FormulaC18H26V-6
Molecular Weight293.35 g/mol
Exact Mass293.15
IUPAC Name5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium
SMILESCCCC[c-]1[cH-][cH-][cH-][cH-]1.CCCC[c-]1cccc1.[V]
InChIInChI=1S/2C9H13.V/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q-5;-1;
InChIKeyNLRPMEOXFRYLAW-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.35
LogP ≤ 55.49
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

5-butylcyclopenta-1,3-diene;zirconium(3+);difluoride
CID 158815990
cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene
CID 175437566
bis(5-butylcyclopenta-1,3-diene);titanium(4+);diphenoxide
CID 161081169
bis(5-propylcyclopenta-1,3-diene);titanium(2+)
CID 154426293
5-propylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 175833088
5-butylcyclopenta-1,3-diene;hafnium;1H-inden-1-ide
CID 154419995
5-butylcyclopenta-1,3-diene;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 159101421
5-(11-bromoundecyl)cyclopenta-1,3-diene;cyclopentane;iron
CID 87674044
potassium 2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
CID 15393928
potassium 2-cyclopenta-2,4-dien-1-ylethanamine
CID 130018757
1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;iron;methylcyclopentane
CID 175522036
1,2-dimethoxyethane;hafnium(4+);5-propylcyclopenta-1,3-diene;trichloride
CID 160735156

Frequently Asked Questions

What is the IUPAC name of 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium?
The IUPAC name of 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium (CID 173190648) is 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium.
What is the SMILES notation for 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium?
The canonical SMILES for 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium is CCCC[c-]1[cH-][cH-][cH-][cH-]1.CCCC[c-]1cccc1.[V].
What is the InChIKey of 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium?
The InChIKey is NLRPMEOXFRYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.V/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q-5;-1;.
What are the key properties of 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium?
5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium has a molecular weight of 293.35 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylcyclopenta-1,3-diene;butylcyclopentane;vanadium is sourced from PubChem (CID 173190648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).