3,4-dimethoxyhex-1-ene

C8H16O2 — CID 140992752

IUPAC3,4-dimethoxyhex-1-ene
SMILESC=CC(OC)C(CC)OC
InChIInChI=1S/C8H16O2/c1-5-7(9-3)8(6-2)10-4/h5,7-8H,1,6H2,2-4H3
InChIKeyGIGCVZRZQKRLMG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds5

About 3,4-dimethoxyhex-1-ene

3,4-dimethoxyhex-1-ene (PubChem CID 140992752) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3,4-dimethoxyhex-1-ene.

Molecular Properties

Compound Name3,4-dimethoxyhex-1-ene
PubChem CID140992752
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3,4-dimethoxyhex-1-ene
SMILESC=CC(OC)C(CC)OC
InChIInChI=1S/C8H16O2/c1-5-7(9-3)8(6-2)10-4/h5,7-8H,1,6H2,2-4H3
InChIKeyGIGCVZRZQKRLMG-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxyhex-1-ene?
The IUPAC name of 3,4-dimethoxyhex-1-ene (CID 140992752) is 3,4-dimethoxyhex-1-ene.
What is the SMILES notation for 3,4-dimethoxyhex-1-ene?
The canonical SMILES for 3,4-dimethoxyhex-1-ene is C=CC(OC)C(CC)OC.
What is the InChIKey of 3,4-dimethoxyhex-1-ene?
The InChIKey is GIGCVZRZQKRLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(9-3)8(6-2)10-4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 3,4-dimethoxyhex-1-ene?
3,4-dimethoxyhex-1-ene has a molecular weight of 144.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxyhex-1-ene is sourced from PubChem (CID 140992752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).