2-cyclopropyl-2-methoxyethanol

C6H12O2 — CID 70480850

IUPAC2-cyclopropyl-2-methoxyethanol
SMILESCOC(CO)C1CC1
InChIInChI=1S/C6H12O2/c1-8-6(4-7)5-2-3-5/h5-7H,2-4H2,1H3
InChIKeyIJDJOJOQCKVGPI-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds3

About 2-cyclopropyl-2-methoxyethanol

2-cyclopropyl-2-methoxyethanol (PubChem CID 70480850) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxyethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxyethanol
PubChem CID70480850
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-cyclopropyl-2-methoxyethanol
SMILESCOC(CO)C1CC1
InChIInChI=1S/C6H12O2/c1-8-6(4-7)5-2-3-5/h5-7H,2-4H2,1H3
InChIKeyIJDJOJOQCKVGPI-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxyethanol?
The IUPAC name of 2-cyclopropyl-2-methoxyethanol (CID 70480850) is 2-cyclopropyl-2-methoxyethanol.
What is the SMILES notation for 2-cyclopropyl-2-methoxyethanol?
The canonical SMILES for 2-cyclopropyl-2-methoxyethanol is COC(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxyethanol?
The InChIKey is IJDJOJOQCKVGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-8-6(4-7)5-2-3-5/h5-7H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-2-methoxyethanol?
2-cyclopropyl-2-methoxyethanol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxyethanol is sourced from PubChem (CID 70480850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).