3-ethoxyprop-1-ene

C5H10O — CID 11191

IUPAC3-ethoxyprop-1-ene
SMILESC=CCOCC
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
InChIKeyOJPSFJLSZZTSDF-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.21
Rot. Bonds3

About 3-ethoxyprop-1-ene

3-ethoxyprop-1-ene (PubChem CID 11191) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 3-ethoxyprop-1-ene.

Molecular Properties

Compound Name3-ethoxyprop-1-ene
PubChem CID11191
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name3-ethoxyprop-1-ene
SMILESC=CCOCC
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
InChIKeyOJPSFJLSZZTSDF-UHFFFAOYSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallyl ether
CID 11194
Allyl vinyl ether
CID 221523
1-Propene, 3-propoxy-
CID 15119
1-Propene, 3-methoxy-
CID 69392
1-Propene, 3-[3-(3-methoxypropoxy)propoxy]-
CID 105682
1-(Allyloxy)butane
CID 77332
3-(2-Methoxyethoxy)prop-1-ene
CID 639880
3-(2-Iodoethoxy)prop-1-ene
CID 10867581
(Z)-1,4-dimethoxybut-2-ene
CID 5386697
3-(1,1-Dimethylethoxy)-1-propene
CID 137021
Isopropyl allyl ether
CID 138673
3-(Prop-2-yn-1-yloxy)prop-1-ene
CID 10872638

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyprop-1-ene?
The IUPAC name of 3-ethoxyprop-1-ene (CID 11191) is 3-ethoxyprop-1-ene.
What is the SMILES notation for 3-ethoxyprop-1-ene?
The canonical SMILES for 3-ethoxyprop-1-ene is C=CCOCC.
What is the InChIKey of 3-ethoxyprop-1-ene?
The InChIKey is OJPSFJLSZZTSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3.
What are the key properties of 3-ethoxyprop-1-ene?
3-ethoxyprop-1-ene has a molecular weight of 86.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyprop-1-ene is sourced from PubChem (CID 11191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).