[(3S)-oxolan-3-yl] formate

C5H8O3 — CID 22868233

IUPAC[(3S)-oxolan-3-yl] formate
SMILESO=CO[C@H]1CCOC1
InChIInChI=1S/C5H8O3/c6-4-8-5-1-2-7-3-5/h4-5H,1-3H2/t5-/m0/s1
InChIKeyXDIVFECIBOARPC-YFKPBYRVSA-N
MW116.12 g/mol
LogP-0.05
Rot. Bonds2

About [(3S)-oxolan-3-yl] formate

[(3S)-oxolan-3-yl] formate (PubChem CID 22868233) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] formate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] formate
PubChem CID22868233
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name[(3S)-oxolan-3-yl] formate
SMILESO=CO[C@H]1CCOC1
InChIInChI=1S/C5H8O3/c6-4-8-5-1-2-7-3-5/h4-5H,1-3H2/t5-/m0/s1
InChIKeyXDIVFECIBOARPC-YFKPBYRVSA-N
XLogP-0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,3-dioxan-5-yl formate
CID 88894611
1,4-oxazepan-6-yl formate;hydrochloride
CID 175544159
2-(oxolan-3-yloxy)acetaldehyde
CID 54518073
3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
3-(cyclohexylidenemethoxy)oxolane
CID 176603024
oxolan-3-yloxyphosphane
CID 163403367
[(3R)-oxolan-3-yl] nitrite
CID 145031788
3-(trifluoromethoxy)oxolane
CID 89404846
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
(2,2-dihydroxyoxathian-4-yl) formate
CID 90003084

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] formate?
The IUPAC name of [(3S)-oxolan-3-yl] formate (CID 22868233) is [(3S)-oxolan-3-yl] formate.
What is the SMILES notation for [(3S)-oxolan-3-yl] formate?
The canonical SMILES for [(3S)-oxolan-3-yl] formate is O=CO[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] formate?
The InChIKey is XDIVFECIBOARPC-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8O3/c6-4-8-5-1-2-7-3-5/h4-5H,1-3H2/t5-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] formate?
[(3S)-oxolan-3-yl] formate has a molecular weight of 116.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] formate is sourced from PubChem (CID 22868233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).