2-prop-2-ynoxypropan-1-ol

C6H10O2 — CID 12951375

IUPAC2-prop-2-ynoxypropan-1-ol
SMILESC#CCOC(C)CO
InChIInChI=1S/C6H10O2/c1-3-4-8-6(2)5-7/h1,6-7H,4-5H2,2H3
InChIKeyJVSJDKRMKRFRBT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.02
Rot. Bonds3

About 2-prop-2-ynoxypropan-1-ol

2-prop-2-ynoxypropan-1-ol (PubChem CID 12951375) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-prop-2-ynoxypropan-1-ol.

Molecular Properties

Compound Name2-prop-2-ynoxypropan-1-ol
PubChem CID12951375
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-prop-2-ynoxypropan-1-ol
SMILESC#CCOC(C)CO
InChIInChI=1S/C6H10O2/c1-3-4-8-6(2)5-7/h1,6-7H,4-5H2,2H3
InChIKeyJVSJDKRMKRFRBT-UHFFFAOYSA-N
XLogP0.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.02
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 2-prop-2-ynoxypropan-1-ol?
The IUPAC name of 2-prop-2-ynoxypropan-1-ol (CID 12951375) is 2-prop-2-ynoxypropan-1-ol.
What is the SMILES notation for 2-prop-2-ynoxypropan-1-ol?
The canonical SMILES for 2-prop-2-ynoxypropan-1-ol is C#CCOC(C)CO.
What is the InChIKey of 2-prop-2-ynoxypropan-1-ol?
The InChIKey is JVSJDKRMKRFRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-8-6(2)5-7/h1,6-7H,4-5H2,2H3.
What are the key properties of 2-prop-2-ynoxypropan-1-ol?
2-prop-2-ynoxypropan-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxypropan-1-ol is sourced from PubChem (CID 12951375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).