2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene

C23H34O2 — CID 5373274

IUPAC2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene
SMILESC=C1CCCC(C)(C)C1CC/C(C)=C/Cc1cc(OC)ccc1OC
InChIInChI=1S/C23H34O2/c1-17(10-13-21-18(2)8-7-15-23(21,3)4)9-11-19-16-20(24-5)12-14-22(19)25-6/h9,12,14,16,21H,2,7-8,10-11,13,15H2,1,3-6H3/b17-9+
InChIKeyYENHYDKGNROCSD-RQZCQDPDSA-N
MW342.52 g/mol
LogP6.36
Rot. Bonds7

About 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene

2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene (PubChem CID 5373274) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene
PubChem CID5373274
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene
SMILESC=C1CCCC(C)(C)C1CC/C(C)=C/Cc1cc(OC)ccc1OC
InChIInChI=1S/C23H34O2/c1-17(10-13-21-18(2)8-7-15-23(21,3)4)9-11-19-16-20(24-5)12-14-22(19)25-6/h9,12,14,16,21H,2,7-8,10-11,13,15H2,1,3-6H3/b17-9+
InChIKeyYENHYDKGNROCSD-RQZCQDPDSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene (CID 5373274) is 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene is C=C1CCCC(C)(C)C1CC/C(C)=C/Cc1cc(OC)ccc1OC.
What is the InChIKey of 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene?
The InChIKey is YENHYDKGNROCSD-RQZCQDPDSA-N. The full InChI is InChI=1S/C23H34O2/c1-17(10-13-21-18(2)8-7-15-23(21,3)4)9-11-19-16-20(24-5)12-14-22(19)25-6/h9,12,14,16,21H,2,7-8,10-11,13,15H2,1,3-6H3/b17-9+.
What are the key properties of 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene?
2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene has a molecular weight of 342.52 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 5373274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).