6,6-diethoxyhex-4-yn-3-ol

C10H18O3 — CID 66486760

IUPAC6,6-diethoxyhex-4-yn-3-ol
SMILESCCOC(C#CC(O)CC)OCC
InChIInChI=1S/C10H18O3/c1-4-9(11)7-8-10(12-5-2)13-6-3/h9-11H,4-6H2,1-3H3
InChIKeyKMQZWLILQMKVEI-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.16
Rot. Bonds5

About 6,6-diethoxyhex-4-yn-3-ol

6,6-diethoxyhex-4-yn-3-ol (PubChem CID 66486760) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6,6-diethoxyhex-4-yn-3-ol.

Molecular Properties

Compound Name6,6-diethoxyhex-4-yn-3-ol
PubChem CID66486760
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6,6-diethoxyhex-4-yn-3-ol
SMILESCCOC(C#CC(O)CC)OCC
InChIInChI=1S/C10H18O3/c1-4-9(11)7-8-10(12-5-2)13-6-3/h9-11H,4-6H2,1-3H3
InChIKeyKMQZWLILQMKVEI-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethoxyhex-4-yn-3-ol?
The IUPAC name of 6,6-diethoxyhex-4-yn-3-ol (CID 66486760) is 6,6-diethoxyhex-4-yn-3-ol.
What is the SMILES notation for 6,6-diethoxyhex-4-yn-3-ol?
The canonical SMILES for 6,6-diethoxyhex-4-yn-3-ol is CCOC(C#CC(O)CC)OCC.
What is the InChIKey of 6,6-diethoxyhex-4-yn-3-ol?
The InChIKey is KMQZWLILQMKVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-9(11)7-8-10(12-5-2)13-6-3/h9-11H,4-6H2,1-3H3.
What are the key properties of 6,6-diethoxyhex-4-yn-3-ol?
6,6-diethoxyhex-4-yn-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethoxyhex-4-yn-3-ol is sourced from PubChem (CID 66486760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).