(E)-1,3,3-trimethoxyprop-1-ene

C6H12O3 — CID 5369304

IUPAC(E)-1,3,3-trimethoxyprop-1-ene
SMILESCO/C=C/C(OC)OC
InChIInChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3/b5-4+
InChIKeyJGVSIZVWGGQMPY-SNAWJCMRSA-N
MW132.16 g/mol
LogP0.77
Rot. Bonds4

About (E)-1,3,3-trimethoxyprop-1-ene

(E)-1,3,3-trimethoxyprop-1-ene (PubChem CID 5369304) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (E)-1,3,3-trimethoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1,3,3-trimethoxyprop-1-ene
PubChem CID5369304
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(E)-1,3,3-trimethoxyprop-1-ene
SMILESCO/C=C/C(OC)OC
InChIInChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3/b5-4+
InChIKeyJGVSIZVWGGQMPY-SNAWJCMRSA-N
XLogP0.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.77
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3,3-trimethoxyprop-1-ene?
The IUPAC name of (E)-1,3,3-trimethoxyprop-1-ene (CID 5369304) is (E)-1,3,3-trimethoxyprop-1-ene.
What is the SMILES notation for (E)-1,3,3-trimethoxyprop-1-ene?
The canonical SMILES for (E)-1,3,3-trimethoxyprop-1-ene is CO/C=C/C(OC)OC.
What is the InChIKey of (E)-1,3,3-trimethoxyprop-1-ene?
The InChIKey is JGVSIZVWGGQMPY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3/b5-4+.
What are the key properties of (E)-1,3,3-trimethoxyprop-1-ene?
(E)-1,3,3-trimethoxyprop-1-ene has a molecular weight of 132.16 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3,3-trimethoxyprop-1-ene is sourced from PubChem (CID 5369304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).