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

(3S)-3,4,5-trihydroxy-6-(2-hydroxypropan-2-yl)oxane-2-carboxylic acid
CID 167018981
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 135057215
(3S)-4,5-dihydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropoxy)oxane-2-carboxylic acid
CID 145011329
4-methyl-5-prop-1-en-2-yloxolan-2-ol
CID 14174436
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
2-methylprop-2-ene-1,1,1-triol
CID 14026294
[(2S,3R)-2-prop-1-en-2-yloxolan-3-yl]methanamine
CID 99963912
2-[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl]oxy-3-prop-1-en-2-yloxirane
CID 123338151
2-prop-1-en-2-yl-1,3-dioxole-4,5-dicarboxylic acid
CID 141006034
2-propan-2-yloxy-5-prop-1-en-2-yloxolane-3,4-diol
CID 166730220
bis((3S,5R)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol);(3R,5R)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol;(3S,5S)-2,3,4,4,5,6-hexamethylhepta-1,6-diene-3,5-diol
CID 159752258
(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane
CID 11126341

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).