3-(trimethoxymethoxy)prop-1-ene

C7H14O4 — CID 637330

IUPAC3-(trimethoxymethoxy)prop-1-ene
SMILESC=CCOC(OC)(OC)OC
InChIInChI=1S/C7H14O4/c1-5-6-11-7(8-2,9-3)10-4/h5H,1,6H2,2-4H3
InChIKeyDJWWKGDEPXTXNR-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.74
Rot. Bonds6

About 3-(trimethoxymethoxy)prop-1-ene

3-(trimethoxymethoxy)prop-1-ene (PubChem CID 637330) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-(trimethoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(trimethoxymethoxy)prop-1-ene
PubChem CID637330
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name3-(trimethoxymethoxy)prop-1-ene
SMILESC=CCOC(OC)(OC)OC
InChIInChI=1S/C7H14O4/c1-5-6-11-7(8-2,9-3)10-4/h5H,1,6H2,2-4H3
InChIKeyDJWWKGDEPXTXNR-UHFFFAOYSA-N
XLogP0.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trimethoxymethoxy)prop-1-ene?
The IUPAC name of 3-(trimethoxymethoxy)prop-1-ene (CID 637330) is 3-(trimethoxymethoxy)prop-1-ene.
What is the SMILES notation for 3-(trimethoxymethoxy)prop-1-ene?
The canonical SMILES for 3-(trimethoxymethoxy)prop-1-ene is C=CCOC(OC)(OC)OC.
What is the InChIKey of 3-(trimethoxymethoxy)prop-1-ene?
The InChIKey is DJWWKGDEPXTXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-5-6-11-7(8-2,9-3)10-4/h5H,1,6H2,2-4H3.
What are the key properties of 3-(trimethoxymethoxy)prop-1-ene?
3-(trimethoxymethoxy)prop-1-ene has a molecular weight of 162.19 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethoxymethoxy)prop-1-ene is sourced from PubChem (CID 637330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).