6,6-dimethoxyhex-1-yn-3-ol

C8H14O3 — CID 15083744

IUPAC6,6-dimethoxyhex-1-yn-3-ol
SMILESC#CC(O)CCC(OC)OC
InChIInChI=1S/C8H14O3/c1-4-7(9)5-6-8(10-2)11-3/h1,7-9H,5-6H2,2-3H3
InChIKeyOFGVLYNBVRKZTC-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.38
Rot. Bonds5

About 6,6-dimethoxyhex-1-yn-3-ol

6,6-dimethoxyhex-1-yn-3-ol (PubChem CID 15083744) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 6,6-dimethoxyhex-1-yn-3-ol.

Molecular Properties

Compound Name6,6-dimethoxyhex-1-yn-3-ol
PubChem CID15083744
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name6,6-dimethoxyhex-1-yn-3-ol
SMILESC#CC(O)CCC(OC)OC
InChIInChI=1S/C8H14O3/c1-4-7(9)5-6-8(10-2)11-3/h1,7-9H,5-6H2,2-3H3
InChIKeyOFGVLYNBVRKZTC-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.38
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-dimethoxyhex-1-yn-3-ol?
The IUPAC name of 6,6-dimethoxyhex-1-yn-3-ol (CID 15083744) is 6,6-dimethoxyhex-1-yn-3-ol.
What is the SMILES notation for 6,6-dimethoxyhex-1-yn-3-ol?
The canonical SMILES for 6,6-dimethoxyhex-1-yn-3-ol is C#CC(O)CCC(OC)OC.
What is the InChIKey of 6,6-dimethoxyhex-1-yn-3-ol?
The InChIKey is OFGVLYNBVRKZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-7(9)5-6-8(10-2)11-3/h1,7-9H,5-6H2,2-3H3.
What are the key properties of 6,6-dimethoxyhex-1-yn-3-ol?
6,6-dimethoxyhex-1-yn-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxyhex-1-yn-3-ol is sourced from PubChem (CID 15083744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).