1,2-diethoxy-1-prop-2-enoxyethanol

C9H18O4 — CID 155338451

IUPAC1,2-diethoxy-1-prop-2-enoxyethanol
SMILESC=CCOC(O)(COCC)OCC
InChIInChI=1S/C9H18O4/c1-4-7-13-9(10,12-6-3)8-11-5-2/h4,10H,1,5-8H2,2-3H3
InChIKeyVTXHJHQRRWOGHS-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.91
Rot. Bonds8

About 1,2-diethoxy-1-prop-2-enoxyethanol

1,2-diethoxy-1-prop-2-enoxyethanol (PubChem CID 155338451) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1,2-diethoxy-1-prop-2-enoxyethanol.

Molecular Properties

Compound Name1,2-diethoxy-1-prop-2-enoxyethanol
PubChem CID155338451
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1,2-diethoxy-1-prop-2-enoxyethanol
SMILESC=CCOC(O)(COCC)OCC
InChIInChI=1S/C9H18O4/c1-4-7-13-9(10,12-6-3)8-11-5-2/h4,10H,1,5-8H2,2-3H3
InChIKeyVTXHJHQRRWOGHS-UHFFFAOYSA-N
XLogP0.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethoxy-2-methylpent-4-en-2-ol
CID 71384768
2-ethenoxy-1,2-diethoxypropane
CID 173023093
2,3-diethoxy-2-hydroxypropanenitrile
CID 88744679
sodium;hydride;(1-hydroxy-1-prop-2-enoxypropyl) dihydrogen phosphite
CID 173408403
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
1-(dimethylamino)-1,2-diethoxyethanol
CID 87239515
bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium
CID 21493300
CID 18764222
CID 18764222
azane;3-ethoxyprop-1-ene;sulfuric acid
CID 175196080
2-ethyl-2-prop-2-enoxypropane-1,3-diol
CID 11457842
buta-1,3-diene;ethoxyethane
CID 18964357
ethoxyethane;prop-1-ene
CID 22712887

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-1-prop-2-enoxyethanol?
The IUPAC name of 1,2-diethoxy-1-prop-2-enoxyethanol (CID 155338451) is 1,2-diethoxy-1-prop-2-enoxyethanol.
What is the SMILES notation for 1,2-diethoxy-1-prop-2-enoxyethanol?
The canonical SMILES for 1,2-diethoxy-1-prop-2-enoxyethanol is C=CCOC(O)(COCC)OCC.
What is the InChIKey of 1,2-diethoxy-1-prop-2-enoxyethanol?
The InChIKey is VTXHJHQRRWOGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-7-13-9(10,12-6-3)8-11-5-2/h4,10H,1,5-8H2,2-3H3.
What are the key properties of 1,2-diethoxy-1-prop-2-enoxyethanol?
1,2-diethoxy-1-prop-2-enoxyethanol has a molecular weight of 190.24 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-1-prop-2-enoxyethanol is sourced from PubChem (CID 155338451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).