(4-butylidene-1-phenylcyclohexyl)benzene

C22H26 — CID 22420630

IUPAC(4-butylidene-1-phenylcyclohexyl)benzene
SMILESCCCC=C1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C22H26/c1-2-3-10-19-15-17-22(18-16-19,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-14H,2-3,15-18H2,1H3
InChIKeySSEVIEAITQMVGE-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.27
Rot. Bonds4

About (4-butylidene-1-phenylcyclohexyl)benzene

(4-butylidene-1-phenylcyclohexyl)benzene (PubChem CID 22420630) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is (4-butylidene-1-phenylcyclohexyl)benzene.

Molecular Properties

Compound Name(4-butylidene-1-phenylcyclohexyl)benzene
PubChem CID22420630
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name(4-butylidene-1-phenylcyclohexyl)benzene
SMILESCCCC=C1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C22H26/c1-2-3-10-19-15-17-22(18-16-19,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-14H,2-3,15-18H2,1H3
InChIKeySSEVIEAITQMVGE-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.27
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 (4-butylidene-1-phenylcyclohexyl)benzene?
The IUPAC name of (4-butylidene-1-phenylcyclohexyl)benzene (CID 22420630) is (4-butylidene-1-phenylcyclohexyl)benzene.
What is the SMILES notation for (4-butylidene-1-phenylcyclohexyl)benzene?
The canonical SMILES for (4-butylidene-1-phenylcyclohexyl)benzene is CCCC=C1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of (4-butylidene-1-phenylcyclohexyl)benzene?
The InChIKey is SSEVIEAITQMVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-2-3-10-19-15-17-22(18-16-19,20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-14H,2-3,15-18H2,1H3.
What are the key properties of (4-butylidene-1-phenylcyclohexyl)benzene?
(4-butylidene-1-phenylcyclohexyl)benzene has a molecular weight of 290.45 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylidene-1-phenylcyclohexyl)benzene is sourced from PubChem (CID 22420630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).