1-ethoxy-1-prop-2-enoxypropane

C8H16O2 — CID 12835889

IUPAC1-ethoxy-1-prop-2-enoxypropane
SMILESC=CCOC(CC)OCC
InChIInChI=1S/C8H16O2/c1-4-7-10-8(5-2)9-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyOUZDEYJVSIECBX-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds6

About 1-ethoxy-1-prop-2-enoxypropane

1-ethoxy-1-prop-2-enoxypropane (PubChem CID 12835889) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-ethoxy-1-prop-2-enoxypropane.

Molecular Properties

Compound Name1-ethoxy-1-prop-2-enoxypropane
PubChem CID12835889
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-ethoxy-1-prop-2-enoxypropane
SMILESC=CCOC(CC)OCC
InChIInChI=1S/C8H16O2/c1-4-7-10-8(5-2)9-6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyOUZDEYJVSIECBX-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydro-2,5-dimethoxyfuran
CID 78974
1,1,2,2-Tetrakis(allyloxy)ethane
CID 85528
3,3-Diethoxy-1-propene
CID 62477
Acrolein dimethyl acetal
CID 80145
1,1-Diethoxy-2-butene
CID 99778
1,3,3-Triethoxy-1-propene, (E)-
CID 5369370
trans-2-Butenal diethyl acetal
CID 6278424
1-Propene, 3,3'-((1-methylethylidene)bis(oxy))bis-
CID 118792
1,1-Diethoxy-3-methyl-2-butene
CID 5215320
(2E)-1,1,4,4-tetramethoxybut-2-ene
CID 5862719
2-Butene, 1,1,4,4-tetramethoxy-
CID 5382783
3,3,3-Triethoxyprop-1-ene
CID 371778

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-prop-2-enoxypropane?
The IUPAC name of 1-ethoxy-1-prop-2-enoxypropane (CID 12835889) is 1-ethoxy-1-prop-2-enoxypropane.
What is the SMILES notation for 1-ethoxy-1-prop-2-enoxypropane?
The canonical SMILES for 1-ethoxy-1-prop-2-enoxypropane is C=CCOC(CC)OCC.
What is the InChIKey of 1-ethoxy-1-prop-2-enoxypropane?
The InChIKey is OUZDEYJVSIECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-7-10-8(5-2)9-6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 1-ethoxy-1-prop-2-enoxypropane?
1-ethoxy-1-prop-2-enoxypropane has a molecular weight of 144.21 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-prop-2-enoxypropane is sourced from PubChem (CID 12835889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).