[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol

C12H20O4S — CID 113420924

IUPAC[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol
SMILESO=S1(=O)CCC(C2(CO)CCOC2C2CC2)C1
InChIInChI=1S/C12H20O4S/c13-8-12(10-3-6-17(14,15)7-10)4-5-16-11(12)9-1-2-9/h9-11,13H,1-8H2
InChIKeyYSGCDVLRWFXBGM-UHFFFAOYSA-N
MW260.35 g/mol
LogP0.60
Rot. Bonds3

About [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol

[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol (PubChem CID 113420924) has the molecular formula C12H20O4S and a molecular weight of 260.35 g/mol. Its IUPAC name is [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol
PubChem CID113420924
Molecular FormulaC12H20O4S
Molecular Weight260.35 g/mol
Exact Mass260.11
IUPAC Name[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol
SMILESO=S1(=O)CCC(C2(CO)CCOC2C2CC2)C1
InChIInChI=1S/C12H20O4S/c13-8-12(10-3-6-17(14,15)7-10)4-5-16-11(12)9-1-2-9/h9-11,13H,1-8H2
InChIKeyYSGCDVLRWFXBGM-UHFFFAOYSA-N
XLogP0.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methyl]ethanamine
CID 104509669
2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolane-3-carboxylic acid
CID 104509180
3-(bromomethyl)-3-cyclopentyl-2-cyclopropyloxolane
CID 104510773
1-(1,1-dioxothiolan-3-yl)cyclooctane-1-carboxylic acid
CID 80610840
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol
CID 103822681
1-(1,1-dioxothiolan-3-yl)-4-methylcyclohexane-1-carboxylic acid
CID 65394495
1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758
3-[2-(chloromethyl)-2-bicyclo[2.2.1]heptanyl]thiolane 1,1-dioxide
CID 66034620
N-[[4-(1,1-dioxothiolan-3-yl)oxan-4-yl]methyl]propan-2-amine
CID 62907476
1-(1,1-dioxothiolan-3-yl)-3-ethylcyclohexane-1-carboxylic acid
CID 65402705

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol?
The IUPAC name of [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol (CID 113420924) is [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol?
The canonical SMILES for [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol is O=S1(=O)CCC(C2(CO)CCOC2C2CC2)C1.
What is the InChIKey of [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol?
The InChIKey is YSGCDVLRWFXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4S/c13-8-12(10-3-6-17(14,15)7-10)4-5-16-11(12)9-1-2-9/h9-11,13H,1-8H2.
What are the key properties of [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol?
[2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol has a molecular weight of 260.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolan-3-yl]methanol is sourced from PubChem (CID 113420924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).