benzyl oxiran-2-ylmethyl carbonate

C11H12O4 — CID 88672245

IUPACbenzyl oxiran-2-ylmethyl carbonate
SMILESO=C(OCc1ccccc1)OCC1CO1
InChIInChI=1S/C11H12O4/c12-11(15-8-10-7-13-10)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyJZMZIXMKPZLDQB-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.74
Rot. Bonds4

About benzyl oxiran-2-ylmethyl carbonate

benzyl oxiran-2-ylmethyl carbonate (PubChem CID 88672245) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is benzyl oxiran-2-ylmethyl carbonate.

Molecular Properties

Compound Namebenzyl oxiran-2-ylmethyl carbonate
PubChem CID88672245
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namebenzyl oxiran-2-ylmethyl carbonate
SMILESO=C(OCc1ccccc1)OCC1CO1
InChIInChI=1S/C11H12O4/c12-11(15-8-10-7-13-10)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyJZMZIXMKPZLDQB-UHFFFAOYSA-N
XLogP1.74
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(oxiran-2-ylmethyl) carbonate
CID 13170402
[(2S)-oxiran-2-yl]methyl 2-(4-benzylphenyl)acetate
CID 56950595
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746
benzyl 2-hydroxyethyl carbonate
CID 139815197
bis[[(2R,3R,4S)-4-fluoro-5-hydroxy-3-phenylmethoxycarbonyloxyoxolan-2-yl]methyl] carbonate
CID 118108955
benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate
CID 163673900

Frequently Asked Questions

What is the IUPAC name of benzyl oxiran-2-ylmethyl carbonate?
The IUPAC name of benzyl oxiran-2-ylmethyl carbonate (CID 88672245) is benzyl oxiran-2-ylmethyl carbonate.
What is the SMILES notation for benzyl oxiran-2-ylmethyl carbonate?
The canonical SMILES for benzyl oxiran-2-ylmethyl carbonate is O=C(OCc1ccccc1)OCC1CO1.
What is the InChIKey of benzyl oxiran-2-ylmethyl carbonate?
The InChIKey is JZMZIXMKPZLDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-11(15-8-10-7-13-10)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of benzyl oxiran-2-ylmethyl carbonate?
benzyl oxiran-2-ylmethyl carbonate has a molecular weight of 208.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl oxiran-2-ylmethyl carbonate is sourced from PubChem (CID 88672245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).