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

C10H18O5S — CID 117169013

IUPAC[2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCCS2(=O)=O)OCC(CO)O1
InChIInChI=1S/C10H18O5S/c1-10(14-7-8(6-11)15-10)9-4-2-3-5-16(9,12)13/h8-9,11H,2-7H2,1H3
InChIKeyJJOYIDLZTOTFBE-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.08
Rot. Bonds2

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

[2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 117169013) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID117169013
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name[2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCCS2(=O)=O)OCC(CO)O1
InChIInChI=1S/C10H18O5S/c1-10(14-7-8(6-11)15-10)9-4-2-3-5-16(9,12)13/h8-9,11H,2-7H2,1H3
InChIKeyJJOYIDLZTOTFBE-UHFFFAOYSA-N
XLogP0.08
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,1-dioxothian-2-yl)-2-methyl-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

(3aR,6R,7S)-6-ethylsulfanyl-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 135043624
(3aR,4S,6S,7S,7aR)-2,2,6-trimethyl-4-((2-methylallyl)sulfonyl)tetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 166449616
(3aR,4S,6S,7S,7aR)-4-(ethylsulfanyl)-2,2,6-trimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 14462556
6-(ethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 18343714
(7,9-Dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
CID 20734174
actinium;6-(ethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 23534159
(2R,3S,4R,5R)-2-(2-methylsulfonylethyl)-5-propan-2-yloxyoxolane-3,4-diol
CID 58214619
(3aS,4R,6R,7R,7aR)-6-ethylsulfanyl-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 67062942
[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-hydroxymethanesulfonic acid
CID 72547611
1,4-Dioxaspiro[4.5]decan-3-yl(hydroxy)methanesulfonic acid
CID 89906021
(2S,3S,5R)-2-methyl-1,1-dioxo-4-propan-2-yloxy-5-(propan-2-yloxymethyl)thiolan-3-ol
CID 122488504
1-Ethoxy-1-methoxyethanol;hexane-1,3-diol;thiolane 1,1-dioxide
CID 164035733

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 117169013) is [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC1(C2CCCCS2(=O)=O)OCC(CO)O1.
What is the InChIKey of [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is JJOYIDLZTOTFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-10(14-7-8(6-11)15-10)9-4-2-3-5-16(9,12)13/h8-9,11H,2-7H2,1H3.
What are the key properties of [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 250.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothian-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117169013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).