2-ethenoxypropan-1-ol

C5H10O2 — CID 18540824

IUPAC2-ethenoxypropan-1-ol
SMILESC=COC(C)CO
InChIInChI=1S/C5H10O2/c1-3-7-5(2)4-6/h3,5-6H,1,4H2,2H3
InChIKeyKXSDQRFKIZDAKS-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.53
Rot. Bonds3

About 2-ethenoxypropan-1-ol

2-ethenoxypropan-1-ol (PubChem CID 18540824) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 2-ethenoxypropan-1-ol.

Molecular Properties

Compound Name2-ethenoxypropan-1-ol
PubChem CID18540824
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name2-ethenoxypropan-1-ol
SMILESC=COC(C)CO
InChIInChI=1S/C5H10O2/c1-3-7-5(2)4-6/h3,5-6H,1,4H2,2H3
InChIKeyKXSDQRFKIZDAKS-UHFFFAOYSA-N
XLogP0.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxypropan-1-ol?
The IUPAC name of 2-ethenoxypropan-1-ol (CID 18540824) is 2-ethenoxypropan-1-ol.
What is the SMILES notation for 2-ethenoxypropan-1-ol?
The canonical SMILES for 2-ethenoxypropan-1-ol is C=COC(C)CO.
What is the InChIKey of 2-ethenoxypropan-1-ol?
The InChIKey is KXSDQRFKIZDAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-ethenoxypropan-1-ol?
2-ethenoxypropan-1-ol has a molecular weight of 102.13 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxypropan-1-ol is sourced from PubChem (CID 18540824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).