[(3-but-3-enylcyclopentyl)-phenylmethyl]benzene

C22H26 — CID 156685307

IUPAC[(3-but-3-enylcyclopentyl)-phenylmethyl]benzene
SMILESC=CCCC1CCC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H26/c1-2-3-10-18-15-16-21(17-18)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h2,4-9,11-14,18,21-22H,1,3,10,15-17H2
InChIKeyAREFCDRQQARASS-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.20
Rot. Bonds6

About [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene

[(3-but-3-enylcyclopentyl)-phenylmethyl]benzene (PubChem CID 156685307) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(3-but-3-enylcyclopentyl)-phenylmethyl]benzene
PubChem CID156685307
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name[(3-but-3-enylcyclopentyl)-phenylmethyl]benzene
SMILESC=CCCC1CCC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H26/c1-2-3-10-18-15-16-21(17-18)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h2,4-9,11-14,18,21-22H,1,3,10,15-17H2
InChIKeyAREFCDRQQARASS-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.20
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 [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene?
The IUPAC name of [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene (CID 156685307) is [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene.
What is the SMILES notation for [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene?
The canonical SMILES for [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene is C=CCCC1CCC(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene?
The InChIKey is AREFCDRQQARASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-2-3-10-18-15-16-21(17-18)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h2,4-9,11-14,18,21-22H,1,3,10,15-17H2.
What are the key properties of [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene?
[(3-but-3-enylcyclopentyl)-phenylmethyl]benzene has a molecular weight of 290.45 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-but-3-enylcyclopentyl)-phenylmethyl]benzene is sourced from PubChem (CID 156685307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).