(5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol

C9H18O3S — CID 70672788

IUPAC(5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol
SMILESCC(C)C1(C)CCC(CO)S1(=O)=O
InChIInChI=1S/C9H18O3S/c1-7(2)9(3)5-4-8(6-10)13(9,11)12/h7-8,10H,4-6H2,1-3H3
InChIKeyRMEJDYZYYLPGCT-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.97
Rot. Bonds2

About (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol

(5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol (PubChem CID 70672788) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol
PubChem CID70672788
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol
SMILESCC(C)C1(C)CCC(CO)S1(=O)=O
InChIInChI=1S/C9H18O3S/c1-7(2)9(3)5-4-8(6-10)13(9,11)12/h7-8,10H,4-6H2,1-3H3
InChIKeyRMEJDYZYYLPGCT-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol?
The IUPAC name of (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol (CID 70672788) is (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol.
What is the SMILES notation for (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol?
The canonical SMILES for (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol is CC(C)C1(C)CCC(CO)S1(=O)=O.
What is the InChIKey of (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol?
The InChIKey is RMEJDYZYYLPGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-7(2)9(3)5-4-8(6-10)13(9,11)12/h7-8,10H,4-6H2,1-3H3.
What are the key properties of (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol?
(5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol has a molecular weight of 206.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,1-dioxo-5-propan-2-ylthiolan-2-yl)methanol is sourced from PubChem (CID 70672788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).