3-(tert-butylsulfonylmethyl)oxolane

C9H18O3S — CID 78042819

IUPAC3-(tert-butylsulfonylmethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)CC1CCOC1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-4-5-12-6-8/h8H,4-7H2,1-3H3
InChIKeyKVJLVLCXSASOAW-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.24
Rot. Bonds2

About 3-(tert-butylsulfonylmethyl)oxolane

3-(tert-butylsulfonylmethyl)oxolane (PubChem CID 78042819) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-(tert-butylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name3-(tert-butylsulfonylmethyl)oxolane
PubChem CID78042819
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name3-(tert-butylsulfonylmethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)CC1CCOC1
InChIInChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-4-5-12-6-8/h8H,4-7H2,1-3H3
InChIKeyKVJLVLCXSASOAW-UHFFFAOYSA-N
XLogP1.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butoxytetrahydrothiophene 1,1-dioxide
CID 350450
3-(Methylpropoxy)thiolane-1,1-dione
CID 2831209
Butoxysulfolane
CID 129785244
Ethoxysulfolane
CID 129789412
(R,S)-3-Butoxy-tetrahydro-thiophene 1,1-dioxide
CID 51404449
Thiophene, tetrahydro-3-(2-methylpropoxy)-, 1,1-dioxide
CID 3783244
2-Isopropyl-1,3-oxathiolane 3,3-dioxide
CID 12629506
2-(2-Methylpropoxy)thiolane 1,1-dioxide
CID 18921416
2-Ethylsulfonyl-1-methoxy-2-(methoxymethyl)-3-methylbutane
CID 19985414
3-[(2-Methylpropan-2-yl)oxy]thiolane 1,1-dioxide
CID 20482281
3-Methoxy-4-methylthiolane 1,1-dioxide
CID 20482282
4-Ethoxy-2,4-dimethylthiolane 1,1-dioxide
CID 53647548

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfonylmethyl)oxolane?
The IUPAC name of 3-(tert-butylsulfonylmethyl)oxolane (CID 78042819) is 3-(tert-butylsulfonylmethyl)oxolane.
What is the SMILES notation for 3-(tert-butylsulfonylmethyl)oxolane?
The canonical SMILES for 3-(tert-butylsulfonylmethyl)oxolane is CC(C)(C)S(=O)(=O)CC1CCOC1.
What is the InChIKey of 3-(tert-butylsulfonylmethyl)oxolane?
The InChIKey is KVJLVLCXSASOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-9(2,3)13(10,11)7-8-4-5-12-6-8/h8H,4-7H2,1-3H3.
What are the key properties of 3-(tert-butylsulfonylmethyl)oxolane?
3-(tert-butylsulfonylmethyl)oxolane has a molecular weight of 206.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylmethyl)oxolane is sourced from PubChem (CID 78042819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).