3-(1-ethoxyethoxy)hex-1-en-5-yne

C10H16O2 — CID 139683793

IUPAC3-(1-ethoxyethoxy)hex-1-en-5-yne
SMILESC#CCC(C=C)OC(C)OCC
InChIInChI=1S/C10H16O2/c1-5-8-10(6-2)12-9(4)11-7-3/h1,6,9-10H,2,7-8H2,3-4H3
InChIKeyUTHASXZWRSLDEO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.96
Rot. Bonds6

About 3-(1-ethoxyethoxy)hex-1-en-5-yne

3-(1-ethoxyethoxy)hex-1-en-5-yne (PubChem CID 139683793) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)hex-1-en-5-yne.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)hex-1-en-5-yne
PubChem CID139683793
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(1-ethoxyethoxy)hex-1-en-5-yne
SMILESC#CCC(C=C)OC(C)OCC
InChIInChI=1S/C10H16O2/c1-5-8-10(6-2)12-9(4)11-7-3/h1,6,9-10H,2,7-8H2,3-4H3
InChIKeyUTHASXZWRSLDEO-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)hex-1-en-5-yne?
The IUPAC name of 3-(1-ethoxyethoxy)hex-1-en-5-yne (CID 139683793) is 3-(1-ethoxyethoxy)hex-1-en-5-yne.
What is the SMILES notation for 3-(1-ethoxyethoxy)hex-1-en-5-yne?
The canonical SMILES for 3-(1-ethoxyethoxy)hex-1-en-5-yne is C#CCC(C=C)OC(C)OCC.
What is the InChIKey of 3-(1-ethoxyethoxy)hex-1-en-5-yne?
The InChIKey is UTHASXZWRSLDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-8-10(6-2)12-9(4)11-7-3/h1,6,9-10H,2,7-8H2,3-4H3.
What are the key properties of 3-(1-ethoxyethoxy)hex-1-en-5-yne?
3-(1-ethoxyethoxy)hex-1-en-5-yne has a molecular weight of 168.24 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)hex-1-en-5-yne is sourced from PubChem (CID 139683793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).