2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol

C15H28O2 — CID 116712860

IUPAC2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
SMILESCCOC(C1CC1)C(O)C1CCC(CC)CC1
InChIInChI=1S/C15H28O2/c1-3-11-5-7-12(8-6-11)14(16)15(17-4-2)13-9-10-13/h11-16H,3-10H2,1-2H3
InChIKeyCOPVXYROXBLIIO-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds6

About 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol

2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol (PubChem CID 116712860) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
PubChem CID116712860
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol
SMILESCCOC(C1CC1)C(O)C1CCC(CC)CC1
InChIInChI=1S/C15H28O2/c1-3-11-5-7-12(8-6-11)14(16)15(17-4-2)13-9-10-13/h11-16H,3-10H2,1-2H3
InChIKeyCOPVXYROXBLIIO-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol (CID 116712860) is 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol is CCOC(C1CC1)C(O)C1CCC(CC)CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol?
The InChIKey is COPVXYROXBLIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-11-5-7-12(8-6-11)14(16)15(17-4-2)13-9-10-13/h11-16H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol?
2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(4-ethylcyclohexyl)ethanol is sourced from PubChem (CID 116712860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).