1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane

C64H116O — CID 160936344

IUPAC1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(CCC)CC2)CC1.C=CCC1CCC(C2CCC(OC)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(CCC2CCC(C)CC2)CC1
InChIInChI=1S/C18H32.C16H28O.C16H30.C14H26/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3,15-18H,1,4-14H2,2H3;3,13-16H,1,4-12H2,2H3;13-16H,3-12H2,1-2H3;11-14H,3-10H2,1-2H3
InChIKeySTXSKSBKSXRPNF-UHFFFAOYSA-N
MW901.63 g/mol
LogP20.61
Rot. Bonds13

About 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane

1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 160936344) has the molecular formula C64H116O and a molecular weight of 901.63 g/mol. Its IUPAC name is 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
PubChem CID160936344
Molecular FormulaC64H116O
Molecular Weight901.63 g/mol
Exact Mass900.90
IUPAC Name1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(CCC)CC2)CC1.C=CCC1CCC(C2CCC(OC)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(CCC2CCC(C)CC2)CC1
InChIInChI=1S/C18H32.C16H28O.C16H30.C14H26/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3,15-18H,1,4-14H2,2H3;3,13-16H,1,4-12H2,2H3;13-16H,3-12H2,1-2H3;11-14H,3-10H2,1-2H3
InChIKeySTXSKSBKSXRPNF-UHFFFAOYSA-N
XLogP20.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.63
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane 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

1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
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
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
1-butyl-4-(4-ethoxycyclohexyl)cyclohexane;1-butyl-4-(4-methoxycyclohexyl)cyclohexane;1-butyl-4-(4-propoxycyclohexyl)cyclohexane;1-ethoxy-4-(4-ethylcyclohexyl)cyclohexane;1-ethoxy-4-(4-pentylcyclohexyl)cyclohexane;1-ethoxy-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-methoxycyclohexyl)cyclohexane;1-ethyl-4-(4-propoxycyclohexyl)cyclohexane;1-methoxy-4-(4-pentylcyclohexyl)cyclohexane;1-methoxy-4-(4-propylcyclohexyl)cyclohexane;1-methyl-4-(4-pentylcyclohexyl)cyclohexane;1-pentyl-4-(4-pentylcyclohexyl)cyclohexane;1-pentyl-4-(4-propoxycyclohexyl)cyclohexane;1-propoxy-4-(4-propylcyclohexyl)cyclohexane
CID 167645978
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane (CID 160936344) is 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane is C=CCC1CCC(C2CCC(CCC)CC2)CC1.C=CCC1CCC(C2CCC(OC)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(CCC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is STXSKSBKSXRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32.C16H28O.C16H30.C14H26/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15;1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3,15-18H,1,4-14H2,2H3;3,13-16H,1,4-12H2,2H3;13-16H,3-12H2,1-2H3;11-14H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 901.63 g/mol, XLogP of 20.61, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 160936344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).