(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol

C16H28O5S2 — CID 10248237

IUPAC(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol
SMILESCC1(C)O[C@H]([C@H](O)CC2SCCCS2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C16H28O5S2/c1-15(2)18-9-11(19-15)14-13(20-16(3,4)21-14)10(17)8-12-22-6-5-7-23-12/h10-14,17H,5-9H2,1-4H3/t10-,11-,13-,14-/m1/s1
InChIKeyNZSFYACNJNIYTG-HBJVGIJOSA-N
MW364.53 g/mol
LogP2.61
Rot. Bonds4

About (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol

(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol (PubChem CID 10248237) has the molecular formula C16H28O5S2 and a molecular weight of 364.53 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol
PubChem CID10248237
Molecular FormulaC16H28O5S2
Molecular Weight364.53 g/mol
Exact Mass364.14
IUPAC Name(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol
SMILESCC1(C)O[C@H]([C@H](O)CC2SCCCS2)[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C16H28O5S2/c1-15(2)18-9-11(19-15)14-13(20-16(3,4)21-14)10(17)8-12-22-6-5-7-23-12/h10-14,17H,5-9H2,1-4H3/t10-,11-,13-,14-/m1/s1
InChIKeyNZSFYACNJNIYTG-HBJVGIJOSA-N
XLogP2.61
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol (CID 10248237) is (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol is CC1(C)O[C@H]([C@H](O)CC2SCCCS2)[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol?
The InChIKey is NZSFYACNJNIYTG-HBJVGIJOSA-N. The full InChI is InChI=1S/C16H28O5S2/c1-15(2)18-9-11(19-15)14-13(20-16(3,4)21-14)10(17)8-12-22-6-5-7-23-12/h10-14,17H,5-9H2,1-4H3/t10-,11-,13-,14-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol?
(1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol has a molecular weight of 364.53 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 10248237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).