1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane

C23H42O — CID 22886280

IUPAC1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
SMILESCCCC1CCC(C2CCC(COC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H42O/c1-3-4-19-7-11-21(12-8-19)22-13-9-20(10-14-22)17-24-23-15-5-18(2)6-16-23/h18-23H,3-17H2,1-2H3
InChIKeyPLUDTUDEZXQFIR-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.99
Rot. Bonds6

About 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane

1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane (PubChem CID 22886280) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
PubChem CID22886280
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
SMILESCCCC1CCC(C2CCC(COC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C23H42O/c1-3-4-19-7-11-21(12-8-19)22-13-9-20(10-14-22)17-24-23-15-5-18(2)6-16-23/h18-23H,3-17H2,1-2H3
InChIKeyPLUDTUDEZXQFIR-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane with MolForge

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Related Compounds

1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
CID 137428589
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1-(4-ethenylcyclohexyl)-4-[[4-(3-propylcyclopentyl)cyclohexyl]methoxy]cyclohexane
CID 58555622
1-(cyclohexylmethoxy)-4-methylcyclohexane
CID 21137244
(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 159023786
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
CID 54380791

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The IUPAC name of 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane (CID 22886280) is 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane.
What is the SMILES notation for 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The canonical SMILES for 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane is CCCC1CCC(C2CCC(COC3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
The InChIKey is PLUDTUDEZXQFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O/c1-3-4-19-7-11-21(12-8-19)22-13-9-20(10-14-22)17-24-23-15-5-18(2)6-16-23/h18-23H,3-17H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane?
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane has a molecular weight of 334.59 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane is sourced from PubChem (CID 22886280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).