(3S)-3-deuteriooxolane

C4H8O — CID 175706873

IUPAC(3S)-3-deuteriooxolane
SMILES[2H][C@H]1CCOC1
InChIInChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D/t1-/m0/s1
InChIKeyWYURNTSHIVDZCO-YUYPMLDFSA-N
MW73.11 g/mol
LogP0.80
Rot. Bonds

About (3S)-3-deuteriooxolane

(3S)-3-deuteriooxolane (PubChem CID 175706873) has the molecular formula C4H8O and a molecular weight of 73.11 g/mol. Its IUPAC name is (3S)-3-deuteriooxolane.

Molecular Properties

Compound Name(3S)-3-deuteriooxolane
PubChem CID175706873
Molecular FormulaC4H8O
Molecular Weight73.11 g/mol
Exact Mass73.06
IUPAC Name(3S)-3-deuteriooxolane
SMILES[2H][C@H]1CCOC1
InChIInChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D/t1-/m0/s1
InChIKeyWYURNTSHIVDZCO-YUYPMLDFSA-N
XLogP0.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;titanium
CID 160710512
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of (3S)-3-deuteriooxolane?
The IUPAC name of (3S)-3-deuteriooxolane (CID 175706873) is (3S)-3-deuteriooxolane.
What is the SMILES notation for (3S)-3-deuteriooxolane?
The canonical SMILES for (3S)-3-deuteriooxolane is [2H][C@H]1CCOC1.
What is the InChIKey of (3S)-3-deuteriooxolane?
The InChIKey is WYURNTSHIVDZCO-YUYPMLDFSA-N. The full InChI is InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D/t1-/m0/s1.
What are the key properties of (3S)-3-deuteriooxolane?
(3S)-3-deuteriooxolane has a molecular weight of 73.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-deuteriooxolane is sourced from PubChem (CID 175706873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).