3,5-dimethoxyoct-1-en-7-yne

C10H16O2 — CID 59934834

IUPAC3,5-dimethoxyoct-1-en-7-yne
SMILESC#CCC(CC(C=C)OC)OC
InChIInChI=1S/C10H16O2/c1-5-7-10(12-4)8-9(6-2)11-3/h1,6,9-10H,2,7-8H2,3-4H3
InChIKeyLWYPOXTZVIDIEX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.62
Rot. Bonds6

About 3,5-dimethoxyoct-1-en-7-yne

3,5-dimethoxyoct-1-en-7-yne (PubChem CID 59934834) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,5-dimethoxyoct-1-en-7-yne.

Molecular Properties

Compound Name3,5-dimethoxyoct-1-en-7-yne
PubChem CID59934834
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,5-dimethoxyoct-1-en-7-yne
SMILESC#CCC(CC(C=C)OC)OC
InChIInChI=1S/C10H16O2/c1-5-7-10(12-4)8-9(6-2)11-3/h1,6,9-10H,2,7-8H2,3-4H3
InChIKeyLWYPOXTZVIDIEX-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3,5-dimethoxyoct-1-en-7-yne?
The IUPAC name of 3,5-dimethoxyoct-1-en-7-yne (CID 59934834) is 3,5-dimethoxyoct-1-en-7-yne.
What is the SMILES notation for 3,5-dimethoxyoct-1-en-7-yne?
The canonical SMILES for 3,5-dimethoxyoct-1-en-7-yne is C#CCC(CC(C=C)OC)OC.
What is the InChIKey of 3,5-dimethoxyoct-1-en-7-yne?
The InChIKey is LWYPOXTZVIDIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7-10(12-4)8-9(6-2)11-3/h1,6,9-10H,2,7-8H2,3-4H3.
What are the key properties of 3,5-dimethoxyoct-1-en-7-yne?
3,5-dimethoxyoct-1-en-7-yne has a molecular weight of 168.24 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxyoct-1-en-7-yne is sourced from PubChem (CID 59934834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).