3-methyl-1-(propoxymethyl)cyclohexan-1-ol

C11H22O2 — CID 79567780

IUPAC3-methyl-1-(propoxymethyl)cyclohexan-1-ol
SMILESCCCOCC1(O)CCCC(C)C1
InChIInChI=1S/C11H22O2/c1-3-7-13-9-11(12)6-4-5-10(2)8-11/h10,12H,3-9H2,1-2H3
InChIKeyLDSCVIQHUDCVRF-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds4

About 3-methyl-1-(propoxymethyl)cyclohexan-1-ol

3-methyl-1-(propoxymethyl)cyclohexan-1-ol (PubChem CID 79567780) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-1-(propoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(propoxymethyl)cyclohexan-1-ol
PubChem CID79567780
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-1-(propoxymethyl)cyclohexan-1-ol
SMILESCCCOCC1(O)CCCC(C)C1
InChIInChI=1S/C11H22O2/c1-3-7-13-9-11(12)6-4-5-10(2)8-11/h10,12H,3-9H2,1-2H3
InChIKeyLDSCVIQHUDCVRF-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79566852
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
3-ethoxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65123625
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
4-(propoxymethyl)oxan-4-ol
CID 79568343
3-methyl-1-propan-2-yl-1-[3-(2-propoxyethoxy)propoxy]cyclohexane
CID 67096024
ethyl 3-(1-hydroxy-3-methylcyclohexyl)propanoate
CID 66323405
1-[(decylamino)methyl]-3-methylcyclohexan-1-ol
CID 65120821
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
3-methyl-1-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 104549990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(propoxymethyl)cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-(propoxymethyl)cyclohexan-1-ol (CID 79567780) is 3-methyl-1-(propoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-(propoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-(propoxymethyl)cyclohexan-1-ol is CCCOCC1(O)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-(propoxymethyl)cyclohexan-1-ol?
The InChIKey is LDSCVIQHUDCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-7-13-9-11(12)6-4-5-10(2)8-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-(propoxymethyl)cyclohexan-1-ol?
3-methyl-1-(propoxymethyl)cyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(propoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 79567780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).