4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol

C11H22O2 — CID 172588901

IUPAC4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol
SMILESCOC1(CC(C)C)CCC(O)CC1
InChIInChI=1S/C11H22O2/c1-9(2)8-11(13-3)6-4-10(12)5-7-11/h9-10,12H,4-8H2,1-3H3
InChIKeyFXHZIBUIJBJOML-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds3

About 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol

4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 172588901) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol
PubChem CID172588901
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol
SMILESCOC1(CC(C)C)CCC(O)CC1
InChIInChI=1S/C11H22O2/c1-9(2)8-11(13-3)6-4-10(12)5-7-11/h9-10,12H,4-8H2,1-3H3
InChIKeyFXHZIBUIJBJOML-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol (CID 172588901) is 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol is COC1(CC(C)C)CCC(O)CC1.
What is the InChIKey of 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is FXHZIBUIJBJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)8-11(13-3)6-4-10(12)5-7-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol?
4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 172588901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).