[(3R)-oxolan-3-yl] hydrogen carbonate

C5H8O4 — CID 67122885

IUPAC[(3R)-oxolan-3-yl] hydrogen carbonate
SMILESO=C(O)O[C@@H]1CCOC1
InChIInChI=1S/C5H8O4/c6-5(7)9-4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKeyJMFYUCCHHYTZDW-SCSAIBSYSA-N
MW132.12 g/mol
LogP0.47
Rot. Bonds1

About [(3R)-oxolan-3-yl] hydrogen carbonate

[(3R)-oxolan-3-yl] hydrogen carbonate (PubChem CID 67122885) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl] hydrogen carbonate
PubChem CID67122885
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name[(3R)-oxolan-3-yl] hydrogen carbonate
SMILESO=C(O)O[C@@H]1CCOC1
InChIInChI=1S/C5H8O4/c6-5(7)9-4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKeyJMFYUCCHHYTZDW-SCSAIBSYSA-N
XLogP0.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;oxolan-3-yl N,N-dimethylcarbamate;propane
CID 144509155
oxolan-3-yl N-ethyl-N-methylcarbamate
CID 91397459
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxolan-3-yl 1-aminocyclopropane-1-carboxylate
CID 65453525
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
oxolan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 126699796
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
(2S)-2-[[(3R)-oxolan-3-yl]oxycarbonylamino]propanoic acid
CID 90999920
[(3S)-oxolan-3-yl] 2-oxo-2-phenylacetate
CID 10857000
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl] hydrogen carbonate?
The IUPAC name of [(3R)-oxolan-3-yl] hydrogen carbonate (CID 67122885) is [(3R)-oxolan-3-yl] hydrogen carbonate.
What is the SMILES notation for [(3R)-oxolan-3-yl] hydrogen carbonate?
The canonical SMILES for [(3R)-oxolan-3-yl] hydrogen carbonate is O=C(O)O[C@@H]1CCOC1.
What is the InChIKey of [(3R)-oxolan-3-yl] hydrogen carbonate?
The InChIKey is JMFYUCCHHYTZDW-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8O4/c6-5(7)9-4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl] hydrogen carbonate?
[(3R)-oxolan-3-yl] hydrogen carbonate has a molecular weight of 132.12 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl] hydrogen carbonate is sourced from PubChem (CID 67122885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).