1-cyclopropylethane-1,2-diol

C5H10O2 — CID 53420227

IUPAC1-cyclopropylethane-1,2-diol
SMILESOCC(O)C1CC1
InChIInChI=1S/C5H10O2/c6-3-5(7)4-1-2-4/h4-7H,1-3H2
InChIKeyBGVZHHMFIIQQEX-UHFFFAOYSA-N
MW102.13 g/mol
LogP-0.25
Rot. Bonds2

About 1-cyclopropylethane-1,2-diol

1-cyclopropylethane-1,2-diol (PubChem CID 53420227) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1-cyclopropylethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropylethane-1,2-diol
PubChem CID53420227
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1-cyclopropylethane-1,2-diol
SMILESOCC(O)C1CC1
InChIInChI=1S/C5H10O2/c6-3-5(7)4-1-2-4/h4-7H,1-3H2
InChIKeyBGVZHHMFIIQQEX-UHFFFAOYSA-N
XLogP-0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethane-1,2-diol?
The IUPAC name of 1-cyclopropylethane-1,2-diol (CID 53420227) is 1-cyclopropylethane-1,2-diol.
What is the SMILES notation for 1-cyclopropylethane-1,2-diol?
The canonical SMILES for 1-cyclopropylethane-1,2-diol is OCC(O)C1CC1.
What is the InChIKey of 1-cyclopropylethane-1,2-diol?
The InChIKey is BGVZHHMFIIQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c6-3-5(7)4-1-2-4/h4-7H,1-3H2.
What are the key properties of 1-cyclopropylethane-1,2-diol?
1-cyclopropylethane-1,2-diol has a molecular weight of 102.13 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethane-1,2-diol is sourced from PubChem (CID 53420227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).