[2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol

C11H20O3S — CID 117168721

IUPAC[2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(CC2CCSCC2)OCC(CO)O1
InChIInChI=1S/C11H20O3S/c1-11(13-8-10(7-12)14-11)6-9-2-4-15-5-3-9/h9-10,12H,2-8H2,1H3
InChIKeyDNZSHURADLPHHI-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.64
Rot. Bonds3

About [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol

[2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 117168721) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID117168721
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name[2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(CC2CCSCC2)OCC(CO)O1
InChIInChI=1S/C11H20O3S/c1-11(13-8-10(7-12)14-11)6-9-2-4-15-5-3-9/h9-10,12H,2-8H2,1H3
InChIKeyDNZSHURADLPHHI-UHFFFAOYSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dioxolane-4-methanol, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56942
1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56943
(2R,3S,4R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(1,3-dithian-2-yl)pentan-3-ol
CID 13874752
(2R,3S,4R)-2-(1,3-dithian-2-yl)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-ol
CID 14138664
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithian-2-yl)ethanol
CID 14604460
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol
CID 14604461
(2R,3S,4S)-2-(1,3-dithian-2-yl)-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-ol
CID 134937597
(2S,3S,4R)-2-(1,3-dithian-2-yl)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-ol
CID 134938232
2-(2-Methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
CID 10989993
[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211463
[(6S,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211465
(7,9-Dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
CID 20734174

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol (CID 117168721) is [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol is CC1(CC2CCSCC2)OCC(CO)O1.
What is the InChIKey of [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is DNZSHURADLPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-11(13-8-10(7-12)14-11)6-9-2-4-15-5-3-9/h9-10,12H,2-8H2,1H3.
What are the key properties of [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 232.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117168721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).