3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide

C9H14O4S — CID 165494538

IUPAC3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OCC2CCOC2)C1
InChIInChI=1S/C9H14O4S/c10-14(11)4-2-9(7-14)13-6-8-1-3-12-5-8/h2,4,8-9H,1,3,5-7H2
InChIKeyXGHHJFKPSWBPTE-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.35
Rot. Bonds3

About 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide

3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165494538) has the molecular formula C9H14O4S and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165494538
Molecular FormulaC9H14O4S
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OCC2CCOC2)C1
InChIInChI=1S/C9H14O4S/c10-14(11)4-2-9(7-14)13-6-8-1-3-12-5-8/h2,4,8-9H,1,3,5-7H2
InChIKeyXGHHJFKPSWBPTE-UHFFFAOYSA-N
XLogP0.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
ethane;3-(methoxymethyl)oxolane
CID 143285946
3-bromo-4-(oxolan-3-ylmethoxy)oxolane
CID 114773818
3-(oxolan-3-ylmethoxy)cyclohexan-1-one
CID 79618597
3-(2-bromoprop-2-enoxymethyl)oxolane
CID 131211912
cyclopentyl-[3-(oxolan-3-ylmethoxy)azetidin-1-yl]methanone
CID 134160596
2-(2-methoxyethoxy)-3-(oxolan-3-ylmethoxy)cyclobutan-1-amine
CID 114032285
diethyl(oxolan-3-ylmethoxy)alumane
CID 139905311
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
3-[(4-iodophenoxy)methyl]oxolane
CID 60772514
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61058397

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide (CID 165494538) is 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CC(OCC2CCOC2)C1.
What is the InChIKey of 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is XGHHJFKPSWBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4S/c10-14(11)4-2-9(7-14)13-6-8-1-3-12-5-8/h2,4,8-9H,1,3,5-7H2.
What are the key properties of 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide?
3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 218.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxy)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165494538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).