(Z)-6,6-diethoxyhex-2-en-4-yne

C10H16O2 — CID 5368983

IUPAC(Z)-6,6-diethoxyhex-2-en-4-yne
SMILESC/C=C\C#CC(OCC)OCC
InChIInChI=1S/C10H16O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7,10H,5-6H2,1-3H3/b7-4-
InChIKeyPWVMDUWRROUKSZ-DAXSKMNVSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds4

About (Z)-6,6-diethoxyhex-2-en-4-yne

(Z)-6,6-diethoxyhex-2-en-4-yne (PubChem CID 5368983) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-6,6-diethoxyhex-2-en-4-yne.

Molecular Properties

Compound Name(Z)-6,6-diethoxyhex-2-en-4-yne
PubChem CID5368983
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(Z)-6,6-diethoxyhex-2-en-4-yne
SMILESC/C=C\C#CC(OCC)OCC
InChIInChI=1S/C10H16O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7,10H,5-6H2,1-3H3/b7-4-
InChIKeyPWVMDUWRROUKSZ-DAXSKMNVSA-N
XLogP1.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
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': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-6,6-diethoxyhex-2-en-4-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6-diethoxyhex-2-en-4-yne?
The IUPAC name of (Z)-6,6-diethoxyhex-2-en-4-yne (CID 5368983) is (Z)-6,6-diethoxyhex-2-en-4-yne.
What is the SMILES notation for (Z)-6,6-diethoxyhex-2-en-4-yne?
The canonical SMILES for (Z)-6,6-diethoxyhex-2-en-4-yne is C/C=C\C#CC(OCC)OCC.
What is the InChIKey of (Z)-6,6-diethoxyhex-2-en-4-yne?
The InChIKey is PWVMDUWRROUKSZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-8-9-10(11-5-2)12-6-3/h4,7,10H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-6,6-diethoxyhex-2-en-4-yne?
(Z)-6,6-diethoxyhex-2-en-4-yne has a molecular weight of 168.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-diethoxyhex-2-en-4-yne is sourced from PubChem (CID 5368983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).