1-methyl-4-(4-methylcyclohexyl)oxycyclohexane

C14H26O — CID 23565647

IUPAC1-methyl-4-(4-methylcyclohexyl)oxycyclohexane
SMILESCC1CCC(OC2CCC(C)CC2)CC1
InChIInChI=1S/C14H26O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyDUWNBNGGTCCLLT-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.16
Rot. Bonds2

About 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane

1-methyl-4-(4-methylcyclohexyl)oxycyclohexane (PubChem CID 23565647) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexyl)oxycyclohexane
PubChem CID23565647
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-methyl-4-(4-methylcyclohexyl)oxycyclohexane
SMILESCC1CCC(OC2CCC(C)CC2)CC1
InChIInChI=1S/C14H26O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyDUWNBNGGTCCLLT-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
The IUPAC name of 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane (CID 23565647) is 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane is CC1CCC(OC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
The InChIKey is DUWNBNGGTCCLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane?
1-methyl-4-(4-methylcyclohexyl)oxycyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 23565647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).