4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene

C48H82O — CID 139803732

IUPAC4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
SMILESCCCCCC1CCC(C2CCC(C3CC=C(COCC4=CCC(C5CCC(C6CCC(CCCCC)CC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H82O/c1-3-5-7-9-37-11-19-41(20-12-37)45-27-31-47(32-28-45)43-23-15-39(16-24-43)35-49-36-40-17-25-44(26-18-40)48-33-29-46(30-34-48)42-21-13-38(14-22-42)10-8-6-4-2/h15,17,37-38,41-48H,3-14,16,18-36H2,1-2H3
InChIKeyBAADVUDWBZOFEI-UHFFFAOYSA-N
MW675.18 g/mol
LogP14.84
Rot. Bonds16

About 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene

4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene (PubChem CID 139803732) has the molecular formula C48H82O and a molecular weight of 675.18 g/mol. Its IUPAC name is 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene.

Molecular Properties

Compound Name4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
PubChem CID139803732
Molecular FormulaC48H82O
Molecular Weight675.18 g/mol
Exact Mass674.64
IUPAC Name4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
SMILESCCCCCC1CCC(C2CCC(C3CC=C(COCC4=CCC(C5CCC(C6CCC(CCCCC)CC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H82O/c1-3-5-7-9-37-11-19-41(20-12-37)45-27-31-47(32-28-45)43-23-15-39(16-24-43)35-49-36-40-17-25-44(26-18-40)48-33-29-46(30-34-48)42-21-13-38(14-22-42)10-8-6-4-2/h15,17,37-38,41-48H,3-14,16,18-36H2,1-2H3
InChIKeyBAADVUDWBZOFEI-UHFFFAOYSA-N
XLogP14.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.18
LogP ≤ 514.84
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-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(4-hexylcyclohexyl)propyl]-1-[[4-[3-(4-hexylcyclohexyl)propyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803814
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methoxybenzene
CID 19988191
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
4-[4-(4-methylhexyl)cyclohexyl]-1-[3-[3-[4-[4-(4-methylhexyl)cyclohexyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803699
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene?
The IUPAC name of 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene (CID 139803732) is 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene.
What is the SMILES notation for 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene?
The canonical SMILES for 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene is CCCCCC1CCC(C2CCC(C3CC=C(COCC4=CCC(C5CCC(C6CCC(CCCCC)CC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene?
The InChIKey is BAADVUDWBZOFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82O/c1-3-5-7-9-37-11-19-41(20-12-37)45-27-31-47(32-28-45)43-23-15-39(16-24-43)35-49-36-40-17-25-44(26-18-40)48-33-29-46(30-34-48)42-21-13-38(14-22-42)10-8-6-4-2/h15,17,37-38,41-48H,3-14,16,18-36H2,1-2H3.
What are the key properties of 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene?
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene has a molecular weight of 675.18 g/mol, XLogP of 14.84, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene is sourced from PubChem (CID 139803732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).