2-(3,3-diethoxyprop-1-enoxy)ethanol

C9H18O4 — CID 154116417

IUPAC2-(3,3-diethoxyprop-1-enoxy)ethanol
SMILESCCOC(C=COCCO)OCC
InChIInChI=1S/C9H18O4/c1-3-12-9(13-4-2)5-7-11-8-6-10/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyJFRJMHPBKPVDGE-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.91
Rot. Bonds8

About 2-(3,3-diethoxyprop-1-enoxy)ethanol

2-(3,3-diethoxyprop-1-enoxy)ethanol (PubChem CID 154116417) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(3,3-diethoxyprop-1-enoxy)ethanol.

Molecular Properties

Compound Name2-(3,3-diethoxyprop-1-enoxy)ethanol
PubChem CID154116417
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(3,3-diethoxyprop-1-enoxy)ethanol
SMILESCCOC(C=COCCO)OCC
InChIInChI=1S/C9H18O4/c1-3-12-9(13-4-2)5-7-11-8-6-10/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyJFRJMHPBKPVDGE-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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,3,3-triethoxyprop-1-ene
CID 5354783
2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]ethanol
CID 6510159
2-penta-1,3-dienoxyethanol
CID 172693400
2-(1-ethoxyprop-2-ynoxy)ethanol
CID 175543174
2-(2-iodoethenoxy)ethanol
CID 175246550
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
ethyl (Z)-4,4-diethoxybut-2-enoate
CID 5355975
3-chloro-1,3-diethoxyprop-1-ene
CID 131851158
(E)-4-(2-hydroxyethoxy)but-3-en-2-one
CID 13225454
4,4-diethoxybut-2-enylphosphonic acid
CID 74063343
2-(4-methoxybut-3-en-2-yloxy)ethanol
CID 76540714
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxyprop-1-enoxy)ethanol?
The IUPAC name of 2-(3,3-diethoxyprop-1-enoxy)ethanol (CID 154116417) is 2-(3,3-diethoxyprop-1-enoxy)ethanol.
What is the SMILES notation for 2-(3,3-diethoxyprop-1-enoxy)ethanol?
The canonical SMILES for 2-(3,3-diethoxyprop-1-enoxy)ethanol is CCOC(C=COCCO)OCC.
What is the InChIKey of 2-(3,3-diethoxyprop-1-enoxy)ethanol?
The InChIKey is JFRJMHPBKPVDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-12-9(13-4-2)5-7-11-8-6-10/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 2-(3,3-diethoxyprop-1-enoxy)ethanol?
2-(3,3-diethoxyprop-1-enoxy)ethanol 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 2-(3,3-diethoxyprop-1-enoxy)ethanol is sourced from PubChem (CID 154116417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).