1-ethoxyprop-1-ene

C5H10O — CID 13570

IUPAC1-ethoxyprop-1-ene
SMILESCC=COCC
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3
InChIKeyXDHOEHJVXXTEDV-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.56
Rot. Bonds2

About 1-ethoxyprop-1-ene

1-ethoxyprop-1-ene (PubChem CID 13570) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 1-ethoxyprop-1-ene.

Molecular Properties

Compound Name1-ethoxyprop-1-ene
PubChem CID13570
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name1-ethoxyprop-1-ene
SMILESCC=COCC
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3
InChIKeyXDHOEHJVXXTEDV-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.56
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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Related Compounds

1-Methoxy-1,3-butadiene
CID 5462719
Propenyl ethyl ether
CID 5365091
1-Propene, 1-methoxy-
CID 111290
1-Methoxy-1-propene
CID 637914
Ethyl propenyl ether
CID 5354319
Propenyl ether
CID 5362775
1-Propene, 1-methoxy-, (1Z)-
CID 643770
cis-1-Butenyl ethyl ether
CID 5364930
cis-1-Propenyl isopropyl ether
CID 5365243
(E)-1-Methoxy-1-butene
CID 5366228
(E)-1-Propenylvinylether
CID 5463053
1-Ethoxybut-1-ene
CID 138375

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyprop-1-ene?
The IUPAC name of 1-ethoxyprop-1-ene (CID 13570) is 1-ethoxyprop-1-ene.
What is the SMILES notation for 1-ethoxyprop-1-ene?
The canonical SMILES for 1-ethoxyprop-1-ene is CC=COCC.
What is the InChIKey of 1-ethoxyprop-1-ene?
The InChIKey is XDHOEHJVXXTEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3.
What are the key properties of 1-ethoxyprop-1-ene?
1-ethoxyprop-1-ene has a molecular weight of 86.13 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyprop-1-ene is sourced from PubChem (CID 13570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).