benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate

C13H16O5 — CID 66978598

IUPACbenzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate
SMILESO=C(OCc1ccccc1)OC1CCOC1CO
InChIInChI=1S/C13H16O5/c14-8-12-11(6-7-16-12)18-13(15)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyBLDOHJSYDWRGNL-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.49
Rot. Bonds4

About benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate

benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate (PubChem CID 66978598) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate
PubChem CID66978598
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namebenzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate
SMILESO=C(OCc1ccccc1)OC1CCOC1CO
InChIInChI=1S/C13H16O5/c14-8-12-11(6-7-16-12)18-13(15)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
InChIKeyBLDOHJSYDWRGNL-UHFFFAOYSA-N
XLogP1.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl] carbonate
CID 102329507
(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
CID 23271774
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
hydroxy-[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxophosphanium
CID 177282139
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
[(3S)-5-amino-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 163725774
benzyl (1R,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98299558
CID 174906307
CID 174906307

Frequently Asked Questions

What is the IUPAC name of benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate?
The IUPAC name of benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate (CID 66978598) is benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate.
What is the SMILES notation for benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate?
The canonical SMILES for benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate is O=C(OCc1ccccc1)OC1CCOC1CO.
What is the InChIKey of benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate?
The InChIKey is BLDOHJSYDWRGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c14-8-12-11(6-7-16-12)18-13(15)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2.
What are the key properties of benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate?
benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate has a molecular weight of 252.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate is sourced from PubChem (CID 66978598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).