benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene

C31H50 — CID 160787270

IUPACbenzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene
SMILESC1=CC1.C1=CC=C1.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.c1ccccc1
InChIInChI=1S/C6H12.C6H6.C5H10.C4H8.C4H4.C3H6.C3H4/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-4-3-1;2*1-2-3-1/h1-6H2;1-6H;1-5H2;1-4H2;1-4H;1-3H2;1-2H,3H2
InChIKeySBJHOORTBRERHP-UHFFFAOYSA-N
MW422.74 g/mol
LogP10.77
Rot. Bonds

About benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene

benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene (PubChem CID 160787270) has the molecular formula C31H50 and a molecular weight of 422.74 g/mol. Its IUPAC name is benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene.

Molecular Properties

Compound Namebenzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene
PubChem CID160787270
Molecular FormulaC31H50
Molecular Weight422.74 g/mol
Exact Mass422.39
IUPAC Namebenzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene
SMILESC1=CC1.C1=CC=C1.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.c1ccccc1
InChIInChI=1S/C6H12.C6H6.C5H10.C4H8.C4H4.C3H6.C3H4/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-4-3-1;2*1-2-3-1/h1-6H2;1-6H;1-5H2;1-4H2;1-4H;1-3H2;1-2H,3H2
InChIKeySBJHOORTBRERHP-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene?
The IUPAC name of benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene (CID 160787270) is benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene.
What is the SMILES notation for benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene?
The canonical SMILES for benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene is C1=CC1.C1=CC=C1.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene?
The InChIKey is SBJHOORTBRERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.C5H10.C4H8.C4H4.C3H6.C3H4/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2-4-3-1;2*1-2-3-1/h1-6H2;1-6H;1-5H2;1-4H2;1-4H;1-3H2;1-2H,3H2.
What are the key properties of benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene?
benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene has a molecular weight of 422.74 g/mol, XLogP of 10.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclobutadiene;cyclobutane;cyclohexane;cyclopentane;cyclopropane;cyclopropene is sourced from PubChem (CID 160787270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).