4,5-diethoxyhex-1-ene

C10H20O2 — CID 57300469

IUPAC4,5-diethoxyhex-1-ene
SMILESC=CCC(OCC)C(C)OCC
InChIInChI=1S/C10H20O2/c1-5-8-10(12-7-3)9(4)11-6-2/h5,9-10H,1,6-8H2,2-4H3
InChIKeyBYTQFCGUUVOPTD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.39
Rot. Bonds7

About 4,5-diethoxyhex-1-ene

4,5-diethoxyhex-1-ene (PubChem CID 57300469) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,5-diethoxyhex-1-ene.

Molecular Properties

Compound Name4,5-diethoxyhex-1-ene
PubChem CID57300469
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4,5-diethoxyhex-1-ene
SMILESC=CCC(OCC)C(C)OCC
InChIInChI=1S/C10H20O2/c1-5-8-10(12-7-3)9(4)11-6-2/h5,9-10H,1,6-8H2,2-4H3
InChIKeyBYTQFCGUUVOPTD-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.39
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 4,5-diethoxyhex-1-ene?
The IUPAC name of 4,5-diethoxyhex-1-ene (CID 57300469) is 4,5-diethoxyhex-1-ene.
What is the SMILES notation for 4,5-diethoxyhex-1-ene?
The canonical SMILES for 4,5-diethoxyhex-1-ene is C=CCC(OCC)C(C)OCC.
What is the InChIKey of 4,5-diethoxyhex-1-ene?
The InChIKey is BYTQFCGUUVOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8-10(12-7-3)9(4)11-6-2/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 4,5-diethoxyhex-1-ene?
4,5-diethoxyhex-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxyhex-1-ene is sourced from PubChem (CID 57300469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).