1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol

C12H24O2 — CID 116754943

IUPAC1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
SMILESCOC1(C(O)C(C)C)CCCC(C)C1
InChIInChI=1S/C12H24O2/c1-9(2)11(13)12(14-4)7-5-6-10(3)8-12/h9-11,13H,5-8H2,1-4H3
InChIKeyJZYFBUXHEIHWLY-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds3

About 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol

1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol (PubChem CID 116754943) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
PubChem CID116754943
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
SMILESCOC1(C(O)C(C)C)CCCC(C)C1
InChIInChI=1S/C12H24O2/c1-9(2)11(13)12(14-4)7-5-6-10(3)8-12/h9-11,13H,5-8H2,1-4H3
InChIKeyJZYFBUXHEIHWLY-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
CID 116767848
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol
CID 116755601
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
CID 116754992
3-(3-methyl-1-propan-2-ylcyclohexyl)oxybutane-1,2,4-triol
CID 91080949
1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
CID 116767522
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
[1-(1-methoxy-3-methylcyclohexyl)-2-propan-2-yloxyethyl]hydrazine
CID 105277619
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol (CID 116754943) is 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol is COC1(C(O)C(C)C)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
The InChIKey is JZYFBUXHEIHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)11(13)12(14-4)7-5-6-10(3)8-12/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol?
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol is sourced from PubChem (CID 116754943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).