cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol

C13H24O2 — CID 116755285

IUPACcyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCOC1(C(O)C2CC2)CCCC(C)C1
InChIInChI=1S/C13H24O2/c1-3-15-13(12(14)11-6-7-11)8-4-5-10(2)9-13/h10-12,14H,3-9H2,1-2H3
InChIKeyMMHWIOPRIAOKPM-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds4

About cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol

cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol (PubChem CID 116755285) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
PubChem CID116755285
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
SMILESCCOC1(C(O)C2CC2)CCCC(C)C1
InChIInChI=1S/C13H24O2/c1-3-15-13(12(14)11-6-7-11)8-4-5-10(2)9-13/h10-12,14H,3-9H2,1-2H3
InChIKeyMMHWIOPRIAOKPM-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol?
The IUPAC name of cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol (CID 116755285) is cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol.
What is the SMILES notation for cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol?
The canonical SMILES for cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol is CCOC1(C(O)C2CC2)CCCC(C)C1.
What is the InChIKey of cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol?
The InChIKey is MMHWIOPRIAOKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-15-13(12(14)11-6-7-11)8-4-5-10(2)9-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol?
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol is sourced from PubChem (CID 116755285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).