1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane

C80H140O — CID 159873828

About 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane

1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane (PubChem CID 159873828) has the molecular formula C80H140O and a molecular weight of 1118.00 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane.

Molecular Properties

• Compound Name: 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
• PubChem CID: 159873828
• Molecular Formula: C80H140O
• Molecular Weight: 1118.00 g/mol
• Exact Mass: 1117.09
• IUPAC Name: 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
• SMILES: C=CCC1CCC(C2CCC(C)CC2)CC1.C=CCC1CCC(C2CCC(CC=C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC=CC1CCC(C2CCC(C=CC)CC2)CC1.COC1CCC(C2CCC(C)CC2)CC1
• InChI: InChI=1S/2C18H30.C16H28.C14H26O.C14H26/c2*1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-6,15-18H,7-14H2,1-2H3;3-4,15-18H,1-2,5-14H2;3,13-16H,1,4-12H2,2H3;11-14H,3-10H2,1-2H3;11-14H,3-10H2,1-2H3
• InChIKey: NSQMUKKCYKLJGF-UHFFFAOYSA-N
• XLogP: 25.35
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1118.00
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?

The IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane (CID 159873828) is 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane.

What is the SMILES notation for 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?

The canonical SMILES for 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane is C=CCC1CCC(C2CCC(C)CC2)CC1.C=CCC1CCC(C2CCC(CC=C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC=CC1CCC(C2CCC(C=CC)CC2)CC1.COC1CCC(C2CCC(C)CC2)CC1.

What is the InChIKey of 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?

The InChIKey is NSQMUKKCYKLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H30.C16H28.C14H26O.C14H26/c2*1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-6,15-18H,7-14H2,1-2H3;3-4,15-18H,1-2,5-14H2;3,13-16H,1,4-12H2,2H3;11-14H,3-10H2,1-2H3;11-14H,3-10H2,1-2H3.

What are the key properties of 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?

1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane has a molecular weight of 1118.00 g/mol, XLogP of 25.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-prop-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 159873828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).