2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene

C20H30 — CID 169110897

IUPAC2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1CCC1CC=CCC1
InChIInChI=1S/C20H30/c1-15(2)18-11-8-12-19(16(3)4)20(18)14-13-17-9-6-5-7-10-17/h5-6,8,11-12,15-17H,7,9-10,13-14H2,1-4H3
InChIKeyGFMWMSQNTOSJHX-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.22
Rot. Bonds5

About 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene

2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene (PubChem CID 169110897) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene
PubChem CID169110897
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1CCC1CC=CCC1
InChIInChI=1S/C20H30/c1-15(2)18-11-8-12-19(16(3)4)20(18)14-13-17-9-6-5-7-10-17/h5-6,8,11-12,15-17H,7,9-10,13-14H2,1-4H3
InChIKeyGFMWMSQNTOSJHX-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.22
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 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene (CID 169110897) is 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1CCC1CC=CCC1.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene?
The InChIKey is GFMWMSQNTOSJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-15(2)18-11-8-12-19(16(3)4)20(18)14-13-17-9-6-5-7-10-17/h5-6,8,11-12,15-17H,7,9-10,13-14H2,1-4H3.
What are the key properties of 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene?
2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene has a molecular weight of 270.46 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylethyl)-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 169110897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).