1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane

C29H50O — CID 58555622

IUPAC1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
SMILESC=CC1CCC(C2CCC(OCC3CCC(C4CCC(CCC)C4)CC3)CC2)CC1
InChIInChI=1S/C29H50O/c1-3-5-23-8-15-28(20-23)27-13-9-24(10-14-27)21-30-29-18-16-26(17-19-29)25-11-6-22(4-2)7-12-25/h4,22-29H,2-3,5-21H2,1H3
InChIKeyBLBRLHCVBHZMFV-UHFFFAOYSA-N
MW414.72 g/mol
LogP8.58
Rot. Bonds8

About 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane

1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane (PubChem CID 58555622) has the molecular formula C29H50O and a molecular weight of 414.72 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
PubChem CID58555622
Molecular FormulaC29H50O
Molecular Weight414.72 g/mol
Exact Mass414.39
IUPAC Name1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
SMILESC=CC1CCC(C2CCC(OCC3CCC(C4CCC(CCC)C4)CC3)CC2)CC1
InChIInChI=1S/C29H50O/c1-3-5-23-8-15-28(20-23)27-13-9-24(10-14-27)21-30-29-18-16-26(17-19-29)25-11-6-22(4-2)7-12-25/h4,22-29H,2-3,5-21H2,1H3
InChIKeyBLBRLHCVBHZMFV-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane with MolForge

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Related Compounds

1-ethenyl-4-[(3-propylcyclopentyl)oxymethyl]cyclohexane
CID 58555576
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
[4-(4-ethenylcyclohexyl)cyclohexyl] 4-(3-propylcyclopentyl)cyclohexane-1-carboxylate
CID 58555540
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 18603493
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
3-propylbicyclo[4.2.0]octane
CID 145186098

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane?
The IUPAC name of 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane (CID 58555622) is 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane is C=CC1CCC(C2CCC(OCC3CCC(C4CCC(CCC)C4)CC3)CC2)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane?
The InChIKey is BLBRLHCVBHZMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50O/c1-3-5-23-8-15-28(20-23)27-13-9-24(10-14-27)21-30-29-18-16-26(17-19-29)25-11-6-22(4-2)7-12-25/h4,22-29H,2-3,5-21H2,1H3.
What are the key properties of 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane?
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane has a molecular weight of 414.72 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane is sourced from PubChem (CID 58555622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).