2-cyclopropyl-2-ethoxyethanol

C7H14O2 — CID 126970888

IUPAC2-cyclopropyl-2-ethoxyethanol
SMILESCCOC(CO)C1CC1
InChIInChI=1S/C7H14O2/c1-2-9-7(5-8)6-3-4-6/h6-8H,2-5H2,1H3
InChIKeyHESXRWKUHPPYPX-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds4

About 2-cyclopropyl-2-ethoxyethanol

2-cyclopropyl-2-ethoxyethanol (PubChem CID 126970888) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxyethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxyethanol
PubChem CID126970888
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-cyclopropyl-2-ethoxyethanol
SMILESCCOC(CO)C1CC1
InChIInChI=1S/C7H14O2/c1-2-9-7(5-8)6-3-4-6/h6-8H,2-5H2,1H3
InChIKeyHESXRWKUHPPYPX-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxyethanol?
The IUPAC name of 2-cyclopropyl-2-ethoxyethanol (CID 126970888) is 2-cyclopropyl-2-ethoxyethanol.
What is the SMILES notation for 2-cyclopropyl-2-ethoxyethanol?
The canonical SMILES for 2-cyclopropyl-2-ethoxyethanol is CCOC(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxyethanol?
The InChIKey is HESXRWKUHPPYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-2-9-7(5-8)6-3-4-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-2-ethoxyethanol?
2-cyclopropyl-2-ethoxyethanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxyethanol is sourced from PubChem (CID 126970888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).