1-methyl-4-(2-methylpropoxymethyl)cyclohexane

C12H24O — CID 21137264

IUPAC1-methyl-4-(2-methylpropoxymethyl)cyclohexane
SMILESCC(C)COCC1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyCOMCNZUONGDINH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.49
Rot. Bonds4

About 1-methyl-4-(2-methylpropoxymethyl)cyclohexane

1-methyl-4-(2-methylpropoxymethyl)cyclohexane (PubChem CID 21137264) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropoxymethyl)cyclohexane
PubChem CID21137264
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-methyl-4-(2-methylpropoxymethyl)cyclohexane
SMILESCC(C)COCC1CCC(C)CC1
InChIInChI=1S/C12H24O/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyCOMCNZUONGDINH-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropoxymethyl)cyclohexane?
The IUPAC name of 1-methyl-4-(2-methylpropoxymethyl)cyclohexane (CID 21137264) is 1-methyl-4-(2-methylpropoxymethyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(2-methylpropoxymethyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(2-methylpropoxymethyl)cyclohexane is CC(C)COCC1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylpropoxymethyl)cyclohexane?
The InChIKey is COMCNZUONGDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-13-9-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropoxymethyl)cyclohexane?
1-methyl-4-(2-methylpropoxymethyl)cyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropoxymethyl)cyclohexane is sourced from PubChem (CID 21137264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).