[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane

C17H28 — CID 23295273

IUPAC[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane
SMILESCC(C)C1=C(C(C)C)C(C2CCCCC2)=CC1
InChIInChI=1S/C17H28/c1-12(2)15-10-11-16(17(15)13(3)4)14-8-6-5-7-9-14/h11-14H,5-10H2,1-4H3
InChIKeyALWMNXHUGONLJH-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.51
Rot. Bonds3

About [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane

[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane (PubChem CID 23295273) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane.

Molecular Properties

Compound Name[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane
PubChem CID23295273
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane
SMILESCC(C)C1=C(C(C)C)C(C2CCCCC2)=CC1
InChIInChI=1S/C17H28/c1-12(2)15-10-11-16(17(15)13(3)4)14-8-6-5-7-9-14/h11-14H,5-10H2,1-4H3
InChIKeyALWMNXHUGONLJH-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane?
The IUPAC name of [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane (CID 23295273) is [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane.
What is the SMILES notation for [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane?
The canonical SMILES for [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane is CC(C)C1=C(C(C)C)C(C2CCCCC2)=CC1.
What is the InChIKey of [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane?
The InChIKey is ALWMNXHUGONLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-12(2)15-10-11-16(17(15)13(3)4)14-8-6-5-7-9-14/h11-14H,5-10H2,1-4H3.
What are the key properties of [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane?
[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane has a molecular weight of 232.41 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]cyclohexane is sourced from PubChem (CID 23295273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).