2-prop-1-en-2-yloxypropan-2-olate

C6H11O2- — CID 20696270

IUPAC2-prop-1-en-2-yloxypropan-2-olate
SMILESC=C(C)OC(C)(C)[O-]
InChIInChI=1S/C6H11O2/c1-5(2)8-6(3,4)7/h1H2,2-4H3/q-1
InChIKeyDTUCESHPKRLSBP-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.63
Rot. Bonds2

About 2-prop-1-en-2-yloxypropan-2-olate

2-prop-1-en-2-yloxypropan-2-olate (PubChem CID 20696270) has the molecular formula C6H11O2- and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxypropan-2-olate.

Molecular Properties

Compound Name2-prop-1-en-2-yloxypropan-2-olate
PubChem CID20696270
Molecular FormulaC6H11O2-
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-prop-1-en-2-yloxypropan-2-olate
SMILESC=C(C)OC(C)(C)[O-]
InChIInChI=1S/C6H11O2/c1-5(2)8-6(3,4)7/h1H2,2-4H3/q-1
InChIKeyDTUCESHPKRLSBP-UHFFFAOYSA-N
XLogP0.63
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxypropan-2-olate?
The IUPAC name of 2-prop-1-en-2-yloxypropan-2-olate (CID 20696270) is 2-prop-1-en-2-yloxypropan-2-olate.
What is the SMILES notation for 2-prop-1-en-2-yloxypropan-2-olate?
The canonical SMILES for 2-prop-1-en-2-yloxypropan-2-olate is C=C(C)OC(C)(C)[O-].
What is the InChIKey of 2-prop-1-en-2-yloxypropan-2-olate?
The InChIKey is DTUCESHPKRLSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2/c1-5(2)8-6(3,4)7/h1H2,2-4H3/q-1.
What are the key properties of 2-prop-1-en-2-yloxypropan-2-olate?
2-prop-1-en-2-yloxypropan-2-olate has a molecular weight of 115.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxypropan-2-olate is sourced from PubChem (CID 20696270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).