(E)-1-methoxyprop-1-ene

C4H8O — CID 637914

IUPAC(E)-1-methoxyprop-1-ene
SMILESC/C=C/OC
InChIInChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+
InChIKeyQHMVQKOXILNZQR-ONEGZZNKSA-N
MW72.11 g/mol
LogP1.17
Rot. Bonds1

About (E)-1-methoxyprop-1-ene

(E)-1-methoxyprop-1-ene (PubChem CID 637914) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is (E)-1-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-methoxyprop-1-ene
PubChem CID637914
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name(E)-1-methoxyprop-1-ene
SMILESC/C=C/OC
InChIInChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+
InChIKeyQHMVQKOXILNZQR-ONEGZZNKSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-1-methoxyprop-1-ene?
The IUPAC name of (E)-1-methoxyprop-1-ene (CID 637914) is (E)-1-methoxyprop-1-ene.
What is the SMILES notation for (E)-1-methoxyprop-1-ene?
The canonical SMILES for (E)-1-methoxyprop-1-ene is C/C=C/OC.
What is the InChIKey of (E)-1-methoxyprop-1-ene?
The InChIKey is QHMVQKOXILNZQR-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-1-methoxyprop-1-ene?
(E)-1-methoxyprop-1-ene has a molecular weight of 72.11 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxyprop-1-ene is sourced from PubChem (CID 637914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).