2-(3-methylbutylsulfonylmethyl)oxolane

C10H20O3S — CID 78876919

IUPAC2-(3-methylbutylsulfonylmethyl)oxolane
SMILESCC(C)CCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H20O3S/c1-9(2)5-7-14(11,12)8-10-4-3-6-13-10/h9-10H,3-8H2,1-2H3
InChIKeyIWJNUUHASSVNIQ-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds5

About 2-(3-methylbutylsulfonylmethyl)oxolane

2-(3-methylbutylsulfonylmethyl)oxolane (PubChem CID 78876919) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonylmethyl)oxolane.

Molecular Properties

Compound Name2-(3-methylbutylsulfonylmethyl)oxolane
PubChem CID78876919
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-(3-methylbutylsulfonylmethyl)oxolane
SMILESCC(C)CCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H20O3S/c1-9(2)5-7-14(11,12)8-10-4-3-6-13-10/h9-10H,3-8H2,1-2H3
InChIKeyIWJNUUHASSVNIQ-UHFFFAOYSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonylmethyl)oxolane?
The IUPAC name of 2-(3-methylbutylsulfonylmethyl)oxolane (CID 78876919) is 2-(3-methylbutylsulfonylmethyl)oxolane.
What is the SMILES notation for 2-(3-methylbutylsulfonylmethyl)oxolane?
The canonical SMILES for 2-(3-methylbutylsulfonylmethyl)oxolane is CC(C)CCS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(3-methylbutylsulfonylmethyl)oxolane?
The InChIKey is IWJNUUHASSVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-9(2)5-7-14(11,12)8-10-4-3-6-13-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylbutylsulfonylmethyl)oxolane?
2-(3-methylbutylsulfonylmethyl)oxolane has a molecular weight of 220.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonylmethyl)oxolane is sourced from PubChem (CID 78876919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).