1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene

C23H34 — CID 141324324

IUPAC1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
SMILESCC/C=C/C1CCC(C2(c3ccc(C)cc3)CCCCC2)CC1
InChIInChI=1S/C23H34/c1-3-4-8-20-11-15-22(16-12-20)23(17-6-5-7-18-23)21-13-9-19(2)10-14-21/h4,8-10,13-14,20,22H,3,5-7,11-12,15-18H2,1-2H3/b8-4+
InChIKeyGMOOQLLAZITWPK-XBXARRHUSA-N
MW310.53 g/mol
LogP6.97
Rot. Bonds4

About 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene

1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene (PubChem CID 141324324) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
PubChem CID141324324
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
SMILESCC/C=C/C1CCC(C2(c3ccc(C)cc3)CCCCC2)CC1
InChIInChI=1S/C23H34/c1-3-4-8-20-11-15-22(16-12-20)23(17-6-5-7-18-23)21-13-9-19(2)10-14-21/h4,8-10,13-14,20,22H,3,5-7,11-12,15-18H2,1-2H3/b8-4+
InChIKeyGMOOQLLAZITWPK-XBXARRHUSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.97
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 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene?
The IUPAC name of 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene (CID 141324324) is 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene?
The canonical SMILES for 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene is CC/C=C/C1CCC(C2(c3ccc(C)cc3)CCCCC2)CC1.
What is the InChIKey of 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene?
The InChIKey is GMOOQLLAZITWPK-XBXARRHUSA-N. The full InChI is InChI=1S/C23H34/c1-3-4-8-20-11-15-22(16-12-20)23(17-6-5-7-18-23)21-13-9-19(2)10-14-21/h4,8-10,13-14,20,22H,3,5-7,11-12,15-18H2,1-2H3/b8-4+.
What are the key properties of 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene?
1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene has a molecular weight of 310.53 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene is sourced from PubChem (CID 141324324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).