(Z)-1,3,3-triethoxyprop-1-ene

C9H18O3 — CID 5354783

IUPAC(Z)-1,3,3-triethoxyprop-1-ene
SMILESCCO/C=C\C(OCC)OCC
InChIInChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7-
InChIKeyATAQLIDYIFWHFW-FPLPWBNLSA-N
MW174.24 g/mol
LogP1.94
Rot. Bonds7

About (Z)-1,3,3-triethoxyprop-1-ene

(Z)-1,3,3-triethoxyprop-1-ene (PubChem CID 5354783) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (Z)-1,3,3-triethoxyprop-1-ene.

Molecular Properties

Compound Name(Z)-1,3,3-triethoxyprop-1-ene
PubChem CID5354783
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(Z)-1,3,3-triethoxyprop-1-ene
SMILESCCO/C=C\C(OCC)OCC
InChIInChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7-
InChIKeyATAQLIDYIFWHFW-FPLPWBNLSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1,3,3-triethoxyprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-diethoxyprop-1-enoxy)ethanol
CID 154116417
3-chloro-1,3-diethoxyprop-1-ene
CID 131851158
1-ethoxypent-1-en-3-ylsilane
CID 175044909
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
(3E)-1,4-diethoxybuta-1,3-diene
CID 173199605
(E)-but-2-enal;(E)-1,1-diethoxybut-2-ene
CID 86760888
ethyl (Z)-4,4-diethoxybut-2-enoate
CID 5355975
(E)-1,1-diethoxydec-2-ene
CID 6437222
1,1-diethoxyundec-2-ene
CID 3018094
[(E)-6,6-diethoxyhex-4-enyl]phosphane
CID 175489777
4,4-diethoxybut-2-enylphosphonic acid
CID 74063343
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3,3-triethoxyprop-1-ene?
The IUPAC name of (Z)-1,3,3-triethoxyprop-1-ene (CID 5354783) is (Z)-1,3,3-triethoxyprop-1-ene.
What is the SMILES notation for (Z)-1,3,3-triethoxyprop-1-ene?
The canonical SMILES for (Z)-1,3,3-triethoxyprop-1-ene is CCO/C=C\C(OCC)OCC.
What is the InChIKey of (Z)-1,3,3-triethoxyprop-1-ene?
The InChIKey is ATAQLIDYIFWHFW-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-1,3,3-triethoxyprop-1-ene?
(Z)-1,3,3-triethoxyprop-1-ene has a molecular weight of 174.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3,3-triethoxyprop-1-ene is sourced from PubChem (CID 5354783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).