3-ethyl-6-methoxyhex-4-yn-3-ol

C9H16O2 — CID 12549312

IUPAC3-ethyl-6-methoxyhex-4-yn-3-ol
SMILESCCC(O)(C#CCOC)CC
InChIInChI=1S/C9H16O2/c1-4-9(10,5-2)7-6-8-11-3/h10H,4-5,8H2,1-3H3
InChIKeyMJKCERJJPDBBTH-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.19
Rot. Bonds3

About 3-ethyl-6-methoxyhex-4-yn-3-ol

3-ethyl-6-methoxyhex-4-yn-3-ol (PubChem CID 12549312) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-6-methoxyhex-4-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-6-methoxyhex-4-yn-3-ol
PubChem CID12549312
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-6-methoxyhex-4-yn-3-ol
SMILESCCC(O)(C#CCOC)CC
InChIInChI=1S/C9H16O2/c1-4-9(10,5-2)7-6-8-11-3/h10H,4-5,8H2,1-3H3
InChIKeyMJKCERJJPDBBTH-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methoxyhex-4-yn-3-ol?
The IUPAC name of 3-ethyl-6-methoxyhex-4-yn-3-ol (CID 12549312) is 3-ethyl-6-methoxyhex-4-yn-3-ol.
What is the SMILES notation for 3-ethyl-6-methoxyhex-4-yn-3-ol?
The canonical SMILES for 3-ethyl-6-methoxyhex-4-yn-3-ol is CCC(O)(C#CCOC)CC.
What is the InChIKey of 3-ethyl-6-methoxyhex-4-yn-3-ol?
The InChIKey is MJKCERJJPDBBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(10,5-2)7-6-8-11-3/h10H,4-5,8H2,1-3H3.
What are the key properties of 3-ethyl-6-methoxyhex-4-yn-3-ol?
3-ethyl-6-methoxyhex-4-yn-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxyhex-4-yn-3-ol is sourced from PubChem (CID 12549312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).