(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane

C10H18O2S2 — CID 11020835

IUPAC(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CC2SCCCS2)O1
InChIInChI=1S/C10H18O2S2/c1-10(2)11-7-8(12-10)6-9-13-4-3-5-14-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXZVZZXNRPHBMHK-MRVPVSSYSA-N
MW234.39 g/mol
LogP2.72
Rot. Bonds2

About (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 11020835) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID11020835
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CC2SCCCS2)O1
InChIInChI=1S/C10H18O2S2/c1-10(2)11-7-8(12-10)6-9-13-4-3-5-14-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXZVZZXNRPHBMHK-MRVPVSSYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,8-Dithiaspiro[2.5]octan-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 495486
4-[(2R)-4,8-dithiaspiro[2.5]octan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 376111
4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 11053597
1,4-Dioxa-7,9-dithiaspiro[4.5]decane
CID 21678320
(2S,3S,4R) 3,4-O-isopropylidene-2-phenyl-tetrahydrofuran-3,4-diol
CID 11207748
2-(2-Methyl-1,3-dithiolan-2-yl)-2-propyl-1,3-dioxolane
CID 12296895
(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane
CID 134878056
(4S)-4-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134895134
(4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 134974732
2-[2-(1,3-Dithian-2-yl)ethyl]-1,3-dioxolane
CID 583278
4-(1,3-Dithian-2-yl)-2,2-dimethyl-1,3-dioxolane
CID 24812664
3,6,8-Trimethyl-1,10-dioxa-4,7-dithiaspiro[4.5]decane
CID 21988032

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane (CID 11020835) is (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](CC2SCCCS2)O1.
What is the InChIKey of (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is XZVZZXNRPHBMHK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-10(2)11-7-8(12-10)6-9-13-4-3-5-14-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 234.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11020835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).