2,3,3-triethoxyprop-2-en-1-ol

C9H18O4 — CID 54359045

IUPAC2,3,3-triethoxyprop-2-en-1-ol
SMILESCCOC(CO)=C(OCC)OCC
InChIInChI=1S/C9H18O4/c1-4-11-8(7-10)9(12-5-2)13-6-3/h10H,4-7H2,1-3H3
InChIKeyULDVSQUAVNGZOW-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.26
Rot. Bonds7

About 2,3,3-triethoxyprop-2-en-1-ol

2,3,3-triethoxyprop-2-en-1-ol (PubChem CID 54359045) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3,3-triethoxyprop-2-en-1-ol.

Molecular Properties

Compound Name2,3,3-triethoxyprop-2-en-1-ol
PubChem CID54359045
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2,3,3-triethoxyprop-2-en-1-ol
SMILESCCOC(CO)=C(OCC)OCC
InChIInChI=1S/C9H18O4/c1-4-11-8(7-10)9(12-5-2)13-6-3/h10H,4-7H2,1-3H3
InChIKeyULDVSQUAVNGZOW-UHFFFAOYSA-N
XLogP1.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
1,2,3,3-Tetraethoxyprop-2-en-1-ol
CID 53672269
1-[1,1-Bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
CID 54270104
1,1,2,3-Tetraethoxyprop-2-en-1-ol
CID 54270540
2-(1,2-Diethoxyprop-1-enoxy)ethanol
CID 87248404
2-[2-[2-(1,2-Diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
CID 87248467
2-[1,1-Bis(2-hydroxyethoxy)prop-1-en-2-yloxy]ethanol
CID 88025654
(Z)-1,1,2,3-tetraethoxyprop-2-en-1-ol
CID 88155151
(Z)-2-(methoxymethoxy)but-2-ene-1,3-diol
CID 88203270
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol;hydrate
CID 141082860
[5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxol-4-yl]methanol
CID 141098522

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triethoxyprop-2-en-1-ol?
The IUPAC name of 2,3,3-triethoxyprop-2-en-1-ol (CID 54359045) is 2,3,3-triethoxyprop-2-en-1-ol.
What is the SMILES notation for 2,3,3-triethoxyprop-2-en-1-ol?
The canonical SMILES for 2,3,3-triethoxyprop-2-en-1-ol is CCOC(CO)=C(OCC)OCC.
What is the InChIKey of 2,3,3-triethoxyprop-2-en-1-ol?
The InChIKey is ULDVSQUAVNGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-11-8(7-10)9(12-5-2)13-6-3/h10H,4-7H2,1-3H3.
What are the key properties of 2,3,3-triethoxyprop-2-en-1-ol?
2,3,3-triethoxyprop-2-en-1-ol has a molecular weight of 190.24 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triethoxyprop-2-en-1-ol is sourced from PubChem (CID 54359045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).