6-methoxyhex-3-yn-2-ol

C7H12O2 — CID 58121301

IUPAC6-methoxyhex-3-yn-2-ol
SMILESCOCCC#CC(C)O
InChIInChI=1S/C7H12O2/c1-7(8)5-3-4-6-9-2/h7-8H,4,6H2,1-2H3
InChIKeyMYIWPRMCMYOVCN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.41
Rot. Bonds2

About 6-methoxyhex-3-yn-2-ol

6-methoxyhex-3-yn-2-ol (PubChem CID 58121301) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-methoxyhex-3-yn-2-ol.

Molecular Properties

Compound Name6-methoxyhex-3-yn-2-ol
PubChem CID58121301
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6-methoxyhex-3-yn-2-ol
SMILESCOCCC#CC(C)O
InChIInChI=1S/C7H12O2/c1-7(8)5-3-4-6-9-2/h7-8H,4,6H2,1-2H3
InChIKeyMYIWPRMCMYOVCN-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyhex-3-yn-2-ol?
The IUPAC name of 6-methoxyhex-3-yn-2-ol (CID 58121301) is 6-methoxyhex-3-yn-2-ol.
What is the SMILES notation for 6-methoxyhex-3-yn-2-ol?
The canonical SMILES for 6-methoxyhex-3-yn-2-ol is COCCC#CC(C)O.
What is the InChIKey of 6-methoxyhex-3-yn-2-ol?
The InChIKey is MYIWPRMCMYOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(8)5-3-4-6-9-2/h7-8H,4,6H2,1-2H3.
What are the key properties of 6-methoxyhex-3-yn-2-ol?
6-methoxyhex-3-yn-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhex-3-yn-2-ol is sourced from PubChem (CID 58121301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).