2-prop-2-ynoxypropane

C6H10O — CID 23262319

IUPAC2-prop-2-ynoxypropane
SMILESC#CCOC(C)C
InChIInChI=1S/C6H10O/c1-4-5-7-6(2)3/h1,6H,5H2,2-3H3
InChIKeyILSBQHAPINGYIJ-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.04
Rot. Bonds2

About 2-prop-2-ynoxypropane

2-prop-2-ynoxypropane (PubChem CID 23262319) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-prop-2-ynoxypropane.

Molecular Properties

Compound Name2-prop-2-ynoxypropane
PubChem CID23262319
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-prop-2-ynoxypropane
SMILESC#CCOC(C)C
InChIInChI=1S/C6H10O/c1-4-5-7-6(2)3/h1,6H,5H2,2-3H3
InChIKeyILSBQHAPINGYIJ-UHFFFAOYSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-prop-2-ynoxypropane?
The IUPAC name of 2-prop-2-ynoxypropane (CID 23262319) is 2-prop-2-ynoxypropane.
What is the SMILES notation for 2-prop-2-ynoxypropane?
The canonical SMILES for 2-prop-2-ynoxypropane is C#CCOC(C)C.
What is the InChIKey of 2-prop-2-ynoxypropane?
The InChIKey is ILSBQHAPINGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-5-7-6(2)3/h1,6H,5H2,2-3H3.
What are the key properties of 2-prop-2-ynoxypropane?
2-prop-2-ynoxypropane has a molecular weight of 98.14 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxypropane is sourced from PubChem (CID 23262319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).