2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol

C8H14O2 — CID 14006252

IUPAC2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol
SMILESC=C(C)C1OC1C(C)(C)O
InChIInChI=1S/C8H14O2/c1-5(2)6-7(10-6)8(3,4)9/h6-7,9H,1H2,2-4H3
InChIKeyIZDZKFOBGNRBCK-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds2

About 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol

2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol (PubChem CID 14006252) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol
PubChem CID14006252
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol
SMILESC=C(C)C1OC1C(C)(C)O
InChIInChI=1S/C8H14O2/c1-5(2)6-7(10-6)8(3,4)9/h6-7,9H,1H2,2-4H3
InChIKeyIZDZKFOBGNRBCK-UHFFFAOYSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 11768585
1-(3,3-Dimethyloxiran-2-yl)-2-methylidenebut-3-en-1-ol
CID 134993047
1-(3,3-Dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 14006250
1-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropan-2-ol
CID 54509794
(1S)-1-(3,3-dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 57752023
1-(3-Propyloxiran-2-yl)ethenol
CID 88562867
(3-But-1-en-2-yloxiran-2-yl)methanol
CID 90021901
4-Methyl-2-prop-1-en-2-yloxolan-3-ol
CID 123852564
[(2R)-2-butyl-3-ethenyloxiran-2-yl]methanol
CID 141317703
3,3-Dideuterio-1-(3,3-dimethyloxiran-2-yl)-2-(trideuteriomethyl)prop-2-en-1-ol
CID 10749333
1-[3,3-Bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol
CID 10796903
(1S)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]prop-2-en-1-ol
CID 11298080

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol?
The IUPAC name of 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol (CID 14006252) is 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol is C=C(C)C1OC1C(C)(C)O.
What is the InChIKey of 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol?
The InChIKey is IZDZKFOBGNRBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)6-7(10-6)8(3,4)9/h6-7,9H,1H2,2-4H3.
What are the key properties of 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol?
2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-1-en-2-yloxiran-2-yl)propan-2-ol is sourced from PubChem (CID 14006252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).