1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane

C15H28O — CID 71050909

IUPAC1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane
SMILESCOC1(CC2CCCCC2)CCC(C)CC1
InChIInChI=1S/C15H28O/c1-13-8-10-15(16-2,11-9-13)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyMZURHWVCXLBENU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.55
Rot. Bonds3

About 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane

1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane (PubChem CID 71050909) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane
PubChem CID71050909
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane
SMILESCOC1(CC2CCCCC2)CCC(C)CC1
InChIInChI=1S/C15H28O/c1-13-8-10-15(16-2,11-9-13)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyMZURHWVCXLBENU-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane?
The IUPAC name of 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane (CID 71050909) is 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane?
The canonical SMILES for 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane is COC1(CC2CCCCC2)CCC(C)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane?
The InChIKey is MZURHWVCXLBENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13-8-10-15(16-2,11-9-13)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane?
1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-methoxy-4-methylcyclohexane is sourced from PubChem (CID 71050909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).