(4-methylsulfonyloxan-4-yl)methanol

C7H14O4S — CID 97179344

IUPAC(4-methylsulfonyloxan-4-yl)methanol
SMILESCS(=O)(=O)C1(CO)CCOCC1
InChIInChI=1S/C7H14O4S/c1-12(9,10)7(6-8)2-4-11-5-3-7/h8H,2-6H2,1H3
InChIKeyIHHJJQMXLSFDKC-UHFFFAOYSA-N
MW194.25 g/mol
LogP-0.43
Rot. Bonds2

About (4-methylsulfonyloxan-4-yl)methanol

(4-methylsulfonyloxan-4-yl)methanol (PubChem CID 97179344) has the molecular formula C7H14O4S and a molecular weight of 194.25 g/mol. Its IUPAC name is (4-methylsulfonyloxan-4-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfonyloxan-4-yl)methanol
PubChem CID97179344
Molecular FormulaC7H14O4S
Molecular Weight194.25 g/mol
Exact Mass194.06
IUPAC Name(4-methylsulfonyloxan-4-yl)methanol
SMILESCS(=O)(=O)C1(CO)CCOCC1
InChIInChI=1S/C7H14O4S/c1-12(9,10)7(6-8)2-4-11-5-3-7/h8H,2-6H2,1H3
InChIKeyIHHJJQMXLSFDKC-UHFFFAOYSA-N
XLogP-0.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonyloxan-4-yl)methanol?
The IUPAC name of (4-methylsulfonyloxan-4-yl)methanol (CID 97179344) is (4-methylsulfonyloxan-4-yl)methanol.
What is the SMILES notation for (4-methylsulfonyloxan-4-yl)methanol?
The canonical SMILES for (4-methylsulfonyloxan-4-yl)methanol is CS(=O)(=O)C1(CO)CCOCC1.
What is the InChIKey of (4-methylsulfonyloxan-4-yl)methanol?
The InChIKey is IHHJJQMXLSFDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4S/c1-12(9,10)7(6-8)2-4-11-5-3-7/h8H,2-6H2,1H3.
What are the key properties of (4-methylsulfonyloxan-4-yl)methanol?
(4-methylsulfonyloxan-4-yl)methanol has a molecular weight of 194.25 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyloxan-4-yl)methanol is sourced from PubChem (CID 97179344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).