1,1,2-triethoxyprop-1-ene

C9H18O3 — CID 22222551

IUPAC1,1,2-triethoxyprop-1-ene
SMILESCCOC(C)=C(OCC)OCC
InChIInChI=1S/C9H18O3/c1-5-10-8(4)9(11-6-2)12-7-3/h5-7H2,1-4H3
InChIKeyTYFKRDFRSFMJOB-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.28
Rot. Bonds6

About 1,1,2-triethoxyprop-1-ene

1,1,2-triethoxyprop-1-ene (PubChem CID 22222551) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,1,2-triethoxyprop-1-ene.

Molecular Properties

Compound Name1,1,2-triethoxyprop-1-ene
PubChem CID22222551
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1,1,2-triethoxyprop-1-ene
SMILESCCOC(C)=C(OCC)OCC
InChIInChI=1S/C9H18O3/c1-5-10-8(4)9(11-6-2)12-7-3/h5-7H2,1-4H3
InChIKeyTYFKRDFRSFMJOB-UHFFFAOYSA-N
XLogP2.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-triethoxyprop-1-ene?
The IUPAC name of 1,1,2-triethoxyprop-1-ene (CID 22222551) is 1,1,2-triethoxyprop-1-ene.
What is the SMILES notation for 1,1,2-triethoxyprop-1-ene?
The canonical SMILES for 1,1,2-triethoxyprop-1-ene is CCOC(C)=C(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxyprop-1-ene?
The InChIKey is TYFKRDFRSFMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-10-8(4)9(11-6-2)12-7-3/h5-7H2,1-4H3.
What are the key properties of 1,1,2-triethoxyprop-1-ene?
1,1,2-triethoxyprop-1-ene has a molecular weight of 174.24 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxyprop-1-ene is sourced from PubChem (CID 22222551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).