1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol

C13H24O2 — CID 114341920

IUPAC1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
SMILESCC1(C)CCC(OCC(O)C2CC2)CC1
InChIInChI=1S/C13H24O2/c1-13(2)7-5-11(6-8-13)15-9-12(14)10-3-4-10/h10-12,14H,3-9H2,1-2H3
InChIKeyGMRZRCWBFGDPTQ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol

1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol (PubChem CID 114341920) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
PubChem CID114341920
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
SMILESCC1(C)CCC(OCC(O)C2CC2)CC1
InChIInChI=1S/C13H24O2/c1-13(2)7-5-11(6-8-13)15-9-12(14)10-3-4-10/h10-12,14H,3-9H2,1-2H3
InChIKeyGMRZRCWBFGDPTQ-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

2-cycloheptyloxy-1-cyclopentylethanol
CID 104753667
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114340882
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
1-(4-aminophenoxy)-3-(4,4-dimethylcyclohexyl)oxypropan-2-ol
CID 114340624
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylphenyl)ethanol
CID 114341933
1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol
CID 104549600
2-aminooxy-1-cyclopropylethanol
CID 22286083
4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
CID 114340907
1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine
CID 114340871
1-(1,3-benzodioxol-5-yl)-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341931
1-(4,4-dimethylcyclohexyl)pent-3-yn-1-ol
CID 65391400
2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 114340843

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol?
The IUPAC name of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol (CID 114341920) is 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol.
What is the SMILES notation for 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol?
The canonical SMILES for 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol is CC1(C)CCC(OCC(O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol?
The InChIKey is GMRZRCWBFGDPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(2)7-5-11(6-8-13)15-9-12(14)10-3-4-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol?
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol 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 1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol is sourced from PubChem (CID 114341920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).