1-ethoxy-3-prop-2-enoxypropan-2-ol

C8H16O3 — CID 10953806

IUPAC1-ethoxy-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCC
InChIInChI=1S/C8H16O3/c1-3-5-11-7-8(9)6-10-4-2/h3,8-9H,1,4-7H2,2H3
InChIKeyVHJRASGGBDTGKR-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.59
Rot. Bonds7

About 1-ethoxy-3-prop-2-enoxypropan-2-ol

1-ethoxy-3-prop-2-enoxypropan-2-ol (PubChem CID 10953806) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-ethoxy-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-prop-2-enoxypropan-2-ol
PubChem CID10953806
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-ethoxy-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCC
InChIInChI=1S/C8H16O3/c1-3-5-11-7-8(9)6-10-4-2/h3,8-9H,1,4-7H2,2H3
InChIKeyVHJRASGGBDTGKR-UHFFFAOYSA-N
XLogP0.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
1-ethoxy-4-methylpent-4-en-2-ol
CID 79178687
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
CID 3022344
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
bis(2-hydroxy-3-prop-2-enoxypropyl) sulfate
CID 174573548
(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylbutyl)azanium
CID 20730092
1-ethoxy-4-methylidenehexan-2-ol
CID 66046480

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-ethoxy-3-prop-2-enoxypropan-2-ol (CID 10953806) is 1-ethoxy-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-ethoxy-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-ethoxy-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COCC.
What is the InChIKey of 1-ethoxy-3-prop-2-enoxypropan-2-ol?
The InChIKey is VHJRASGGBDTGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-11-7-8(9)6-10-4-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-ethoxy-3-prop-2-enoxypropan-2-ol?
1-ethoxy-3-prop-2-enoxypropan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 10953806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).