1,1,2-trimethoxyprop-1-ene

C6H12O3 — CID 23440320

IUPAC1,1,2-trimethoxyprop-1-ene
SMILESCOC(C)=C(OC)OC
InChIInChI=1S/C6H12O3/c1-5(7-2)6(8-3)9-4/h1-4H3
InChIKeySELMXFMCEUJOIB-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.11
Rot. Bonds3

About 1,1,2-trimethoxyprop-1-ene

1,1,2-trimethoxyprop-1-ene (PubChem CID 23440320) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1,1,2-trimethoxyprop-1-ene.

Molecular Properties

Compound Name1,1,2-trimethoxyprop-1-ene
PubChem CID23440320
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name1,1,2-trimethoxyprop-1-ene
SMILESCOC(C)=C(OC)OC
InChIInChI=1S/C6H12O3/c1-5(7-2)6(8-3)9-4/h1-4H3
InChIKeySELMXFMCEUJOIB-UHFFFAOYSA-N
XLogP1.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.11
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-trimethoxyprop-1-ene?
The IUPAC name of 1,1,2-trimethoxyprop-1-ene (CID 23440320) is 1,1,2-trimethoxyprop-1-ene.
What is the SMILES notation for 1,1,2-trimethoxyprop-1-ene?
The canonical SMILES for 1,1,2-trimethoxyprop-1-ene is COC(C)=C(OC)OC.
What is the InChIKey of 1,1,2-trimethoxyprop-1-ene?
The InChIKey is SELMXFMCEUJOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7-2)6(8-3)9-4/h1-4H3.
What are the key properties of 1,1,2-trimethoxyprop-1-ene?
1,1,2-trimethoxyprop-1-ene has a molecular weight of 132.16 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxyprop-1-ene is sourced from PubChem (CID 23440320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).