4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene

C36H62O — CID 139803797

IUPAC4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene
SMILESCC(C)C1CCC(C2CC=C(CCCOCCCC3=CCC(C4CCC(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C36H62O/c1-27(2)31-17-21-35(22-18-31)33-13-9-29(10-14-33)7-5-25-37-26-6-8-30-11-15-34(16-12-30)36-23-19-32(20-24-36)28(3)4/h9,11,27-28,31-36H,5-8,10,12-26H2,1-4H3
InChIKeyFHAKDZUTHWPJJW-UHFFFAOYSA-N
MW510.89 g/mol
LogP10.94
Rot. Bonds12

About 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene

4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene (PubChem CID 139803797) has the molecular formula C36H62O and a molecular weight of 510.89 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene
PubChem CID139803797
Molecular FormulaC36H62O
Molecular Weight510.89 g/mol
Exact Mass510.48
IUPAC Name4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene
SMILESCC(C)C1CCC(C2CC=C(CCCOCCCC3=CCC(C4CCC(C(C)C)CC4)CC3)CC2)CC1
InChIInChI=1S/C36H62O/c1-27(2)31-17-21-35(22-18-31)33-13-9-29(10-14-33)7-5-25-37-26-6-8-30-11-15-34(16-12-30)36-23-19-32(20-24-36)28(3)4/h9,11,27-28,31-36H,5-8,10,12-26H2,1-4H3
InChIKeyFHAKDZUTHWPJJW-UHFFFAOYSA-N
XLogP10.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.89
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene 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-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene?
The IUPAC name of 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene (CID 139803797) is 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene?
The canonical SMILES for 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene is CC(C)C1CCC(C2CC=C(CCCOCCCC3=CCC(C4CCC(C(C)C)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene?
The InChIKey is FHAKDZUTHWPJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62O/c1-27(2)31-17-21-35(22-18-31)33-13-9-29(10-14-33)7-5-25-37-26-6-8-30-11-15-34(16-12-30)36-23-19-32(20-24-36)28(3)4/h9,11,27-28,31-36H,5-8,10,12-26H2,1-4H3.
What are the key properties of 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene?
4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene has a molecular weight of 510.89 g/mol, XLogP of 10.94, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexyl)-1-[3-[3-[4-(4-propan-2-ylcyclohexyl)cyclohexen-1-yl]propoxy]propyl]cyclohexene is sourced from PubChem (CID 139803797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).