methane;methoxyethane;pent-2-yn-1-ol

C9H20O2 — CID 157264416

IUPACmethane;methoxyethane;pent-2-yn-1-ol
SMILESC.CCC#CCO.CCOC
InChIInChI=1S/C5H8O.C3H8O.CH4/c1-2-3-4-5-6;1-3-4-2;/h6H,2,5H2,1H3;3H2,1-2H3;1H4
InChIKeyAXVIDXBCZSXPIY-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.68
Rot. Bonds1

About methane;methoxyethane;pent-2-yn-1-ol

methane;methoxyethane;pent-2-yn-1-ol (PubChem CID 157264416) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is methane;methoxyethane;pent-2-yn-1-ol.

Molecular Properties

Compound Namemethane;methoxyethane;pent-2-yn-1-ol
PubChem CID157264416
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namemethane;methoxyethane;pent-2-yn-1-ol
SMILESC.CCC#CCO.CCOC
InChIInChI=1S/C5H8O.C3H8O.CH4/c1-2-3-4-5-6;1-3-4-2;/h6H,2,5H2,1H3;3H2,1-2H3;1H4
InChIKeyAXVIDXBCZSXPIY-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.68
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 methane;methoxyethane;pent-2-yn-1-ol?
The IUPAC name of methane;methoxyethane;pent-2-yn-1-ol (CID 157264416) is methane;methoxyethane;pent-2-yn-1-ol.
What is the SMILES notation for methane;methoxyethane;pent-2-yn-1-ol?
The canonical SMILES for methane;methoxyethane;pent-2-yn-1-ol is C.CCC#CCO.CCOC.
What is the InChIKey of methane;methoxyethane;pent-2-yn-1-ol?
The InChIKey is AXVIDXBCZSXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C3H8O.CH4/c1-2-3-4-5-6;1-3-4-2;/h6H,2,5H2,1H3;3H2,1-2H3;1H4.
What are the key properties of methane;methoxyethane;pent-2-yn-1-ol?
methane;methoxyethane;pent-2-yn-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxyethane;pent-2-yn-1-ol is sourced from PubChem (CID 157264416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).