3,4-bis(1,1-dimethoxyethoxy)but-1-ene

C12H24O6 — CID 135011204

IUPAC3,4-bis(1,1-dimethoxyethoxy)but-1-ene
SMILESC=CC(COC(C)(OC)OC)OC(C)(OC)OC
InChIInChI=1S/C12H24O6/c1-8-10(18-12(3,15-6)16-7)9-17-11(2,13-4)14-5/h8,10H,1,9H2,2-7H3
InChIKeyYUUWGMCXTPMWFD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.51
Rot. Bonds10

About 3,4-bis(1,1-dimethoxyethoxy)but-1-ene

3,4-bis(1,1-dimethoxyethoxy)but-1-ene (PubChem CID 135011204) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,4-bis(1,1-dimethoxyethoxy)but-1-ene.

Molecular Properties

Compound Name3,4-bis(1,1-dimethoxyethoxy)but-1-ene
PubChem CID135011204
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3,4-bis(1,1-dimethoxyethoxy)but-1-ene
SMILESC=CC(COC(C)(OC)OC)OC(C)(OC)OC
InChIInChI=1S/C12H24O6/c1-8-10(18-12(3,15-6)16-7)9-17-11(2,13-4)14-5/h8,10H,1,9H2,2-7H3
InChIKeyYUUWGMCXTPMWFD-UHFFFAOYSA-N
XLogP1.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3,4-bis(1,1-dimethoxyethoxy)but-1-ene?
The IUPAC name of 3,4-bis(1,1-dimethoxyethoxy)but-1-ene (CID 135011204) is 3,4-bis(1,1-dimethoxyethoxy)but-1-ene.
What is the SMILES notation for 3,4-bis(1,1-dimethoxyethoxy)but-1-ene?
The canonical SMILES for 3,4-bis(1,1-dimethoxyethoxy)but-1-ene is C=CC(COC(C)(OC)OC)OC(C)(OC)OC.
What is the InChIKey of 3,4-bis(1,1-dimethoxyethoxy)but-1-ene?
The InChIKey is YUUWGMCXTPMWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6/c1-8-10(18-12(3,15-6)16-7)9-17-11(2,13-4)14-5/h8,10H,1,9H2,2-7H3.
What are the key properties of 3,4-bis(1,1-dimethoxyethoxy)but-1-ene?
3,4-bis(1,1-dimethoxyethoxy)but-1-ene has a molecular weight of 264.32 g/mol, XLogP of 1.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1,1-dimethoxyethoxy)but-1-ene is sourced from PubChem (CID 135011204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).