3-[(E)-prop-1-enoxy]propan-1-ol

C6H12O2 — CID 22617123

IUPAC3-[(E)-prop-1-enoxy]propan-1-ol
SMILESC/C=C/OCCCO
InChIInChI=1S/C6H12O2/c1-2-5-8-6-3-4-7/h2,5,7H,3-4,6H2,1H3/b5-2+
InChIKeyGNYPMQZTSVRUEZ-GORDUTHDSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds4

About 3-[(E)-prop-1-enoxy]propan-1-ol

3-[(E)-prop-1-enoxy]propan-1-ol (PubChem CID 22617123) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-[(E)-prop-1-enoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(E)-prop-1-enoxy]propan-1-ol
PubChem CID22617123
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-[(E)-prop-1-enoxy]propan-1-ol
SMILESC/C=C/OCCCO
InChIInChI=1S/C6H12O2/c1-2-5-8-6-3-4-7/h2,5,7H,3-4,6H2,1H3/b5-2+
InChIKeyGNYPMQZTSVRUEZ-GORDUTHDSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enoxy]propan-1-ol?
The IUPAC name of 3-[(E)-prop-1-enoxy]propan-1-ol (CID 22617123) is 3-[(E)-prop-1-enoxy]propan-1-ol.
What is the SMILES notation for 3-[(E)-prop-1-enoxy]propan-1-ol?
The canonical SMILES for 3-[(E)-prop-1-enoxy]propan-1-ol is C/C=C/OCCCO.
What is the InChIKey of 3-[(E)-prop-1-enoxy]propan-1-ol?
The InChIKey is GNYPMQZTSVRUEZ-GORDUTHDSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-5-8-6-3-4-7/h2,5,7H,3-4,6H2,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enoxy]propan-1-ol?
3-[(E)-prop-1-enoxy]propan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enoxy]propan-1-ol is sourced from PubChem (CID 22617123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).