1-methoxy-4-(4-propylcyclohexyl)cyclohexane

C16H30O — CID 556851

IUPAC1-methoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC)CC2)CC1
InChIInChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3
InChIKeyJMOYCPSDEMHCFG-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.80
Rot. Bonds4

About 1-methoxy-4-(4-propylcyclohexyl)cyclohexane

1-methoxy-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 556851) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-methoxy-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-4-(4-propylcyclohexyl)cyclohexane
PubChem CID556851
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-methoxy-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC)CC2)CC1
InChIInChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3
InChIKeyJMOYCPSDEMHCFG-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-methoxy-4-(4-propylcyclohexyl)cyclohexane (CID 556851) is 1-methoxy-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-methoxy-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(OC)CC2)CC1.
What is the InChIKey of 1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is JMOYCPSDEMHCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-methoxy-4-(4-propylcyclohexyl)cyclohexane?
1-methoxy-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 238.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 556851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).