3-prop-2-enoxypropan-1-olate

C6H11O2- — CID 58860427

IUPAC3-prop-2-enoxypropan-1-olate
SMILESC=CCOCCC[O-]
InChIInChI=1S/C6H11O2/c1-2-5-8-6-3-4-7/h2H,1,3-6H2/q-1
InChIKeyRKKVVWVPQXYNQV-UHFFFAOYSA-N
MW115.15 g/mol
LogP-0.06
Rot. Bonds5

About 3-prop-2-enoxypropan-1-olate

3-prop-2-enoxypropan-1-olate (PubChem CID 58860427) has the molecular formula C6H11O2- and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-prop-2-enoxypropan-1-olate.

Molecular Properties

Compound Name3-prop-2-enoxypropan-1-olate
PubChem CID58860427
Molecular FormulaC6H11O2-
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-prop-2-enoxypropan-1-olate
SMILESC=CCOCCC[O-]
InChIInChI=1S/C6H11O2/c1-2-5-8-6-3-4-7/h2H,1,3-6H2/q-1
InChIKeyRKKVVWVPQXYNQV-UHFFFAOYSA-N
XLogP-0.06
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
3-prop-2-enoxypropane-1-sulfonate
CID 3556888
1-prop-2-enoxypentane;zirconium
CID 175164581
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
N-methyl-4-prop-2-enoxybutan-1-amine
CID 62442443
11-(2-prop-2-enoxyethoxy)undecane-1-thiol
CID 59422673
Potassium allyloxide
CID 87828396
1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
CID 11218120
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypropan-1-olate?
The IUPAC name of 3-prop-2-enoxypropan-1-olate (CID 58860427) is 3-prop-2-enoxypropan-1-olate.
What is the SMILES notation for 3-prop-2-enoxypropan-1-olate?
The canonical SMILES for 3-prop-2-enoxypropan-1-olate is C=CCOCCC[O-].
What is the InChIKey of 3-prop-2-enoxypropan-1-olate?
The InChIKey is RKKVVWVPQXYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2/c1-2-5-8-6-3-4-7/h2H,1,3-6H2/q-1.
What are the key properties of 3-prop-2-enoxypropan-1-olate?
3-prop-2-enoxypropan-1-olate has a molecular weight of 115.15 g/mol, XLogP of -0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypropan-1-olate is sourced from PubChem (CID 58860427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).