3-methoxy-2-(methoxymethoxy)prop-1-ene

C6H12O3 — CID 20770107

IUPAC3-methoxy-2-(methoxymethoxy)prop-1-ene
SMILESC=C(COC)OCOC
InChIInChI=1S/C6H12O3/c1-6(4-7-2)9-5-8-3/h1,4-5H2,2-3H3
InChIKeyBLPKTGXGBYCXJK-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.77
Rot. Bonds5

About 3-methoxy-2-(methoxymethoxy)prop-1-ene

3-methoxy-2-(methoxymethoxy)prop-1-ene (PubChem CID 20770107) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethoxy)prop-1-ene
PubChem CID20770107
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-methoxy-2-(methoxymethoxy)prop-1-ene
SMILESC=C(COC)OCOC
InChIInChI=1S/C6H12O3/c1-6(4-7-2)9-5-8-3/h1,4-5H2,2-3H3
InChIKeyBLPKTGXGBYCXJK-UHFFFAOYSA-N
XLogP0.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 3-methoxy-2-(methoxymethoxy)prop-1-ene?
The IUPAC name of 3-methoxy-2-(methoxymethoxy)prop-1-ene (CID 20770107) is 3-methoxy-2-(methoxymethoxy)prop-1-ene.
What is the SMILES notation for 3-methoxy-2-(methoxymethoxy)prop-1-ene?
The canonical SMILES for 3-methoxy-2-(methoxymethoxy)prop-1-ene is C=C(COC)OCOC.
What is the InChIKey of 3-methoxy-2-(methoxymethoxy)prop-1-ene?
The InChIKey is BLPKTGXGBYCXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(4-7-2)9-5-8-3/h1,4-5H2,2-3H3.
What are the key properties of 3-methoxy-2-(methoxymethoxy)prop-1-ene?
3-methoxy-2-(methoxymethoxy)prop-1-ene has a molecular weight of 132.16 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethoxy)prop-1-ene is sourced from PubChem (CID 20770107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).