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'}

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Related Compounds

4-[4-(4-methylhexyl)cyclohexyl]-1-[3-[3-[4-[4-(4-methylhexyl)cyclohexyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803699
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene
CID 139803649
4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803689
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 19436175
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745472
4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
1-but-3-enyl-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexene
CID 21464605
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930

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).