(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane

C20H36O4S2 — CID 11258224

IUPAC(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CCCC2(CCC[C@@H]3COC(C)(C)O3)SCCCS2)O1
InChIInChI=1S/C20H36O4S2/c1-18(2)21-14-16(23-18)8-5-10-20(25-12-7-13-26-20)11-6-9-17-15-22-19(3,4)24-17/h16-17H,5-15H2,1-4H3/t16-,17-/m1/s1
InChIKeyWSMAZJPBZNZSIE-IAGOWNOFSA-N
MW404.64 g/mol
LogP5.20
Rot. Bonds8

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

(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11258224) has the molecular formula C20H36O4S2 and a molecular weight of 404.64 g/mol. Its IUPAC name is (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11258224
Molecular FormulaC20H36O4S2
Molecular Weight404.64 g/mol
Exact Mass404.21
IUPAC Name(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CCCC2(CCC[C@@H]3COC(C)(C)O3)SCCCS2)O1
InChIInChI=1S/C20H36O4S2/c1-18(2)21-14-16(23-18)8-5-10-20(25-12-7-13-26-20)11-6-9-17-15-22-19(3,4)24-17/h16-17H,5-15H2,1-4H3/t16-,17-/m1/s1
InChIKeyWSMAZJPBZNZSIE-IAGOWNOFSA-N
XLogP5.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(4S,4'S,4''R,5R,5'R)-5-(1,3-dithian-2-yl)-2,2,2',2',2'',2''-hexamethyl-4,4':5',4''-ter(1,3-dioxolane)
CID 10251585
2-[3-[2-[3-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]propyl]-1,3-dioxolane
CID 11210244
7'-Decyl-5'-methylspiro[1,3-dithiolane-2,2'-6,8-dioxabicyclo[3.2.1]octane]
CID 14688819
(3S)-3-[3-[2-[3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]propyl]-1,3-dithian-2-yl]propyl]-1,4-dioxaspiro[4.5]decane
CID 134937029
(7R,9R)-9-[(2-ethyl-1,3-dioxolan-2-yl)methyl]-7-pentyl-8-oxa-1,5-dithiaspiro[5.5]undecane
CID 135030978
(4R,5R)-4-[(1R)-1,2-dimethoxyethyl]-5-[(1R)-2-(1,3-dithian-2-yl)-1-methoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 10361566
2-[2-[2-(2,2-Dimethoxyethyl)-1,3-dithian-2-yl]ethyl]-2-methyl-1,3-dioxolane
CID 11638375
2-[2-[2-[4-(1,3-Dioxolan-2-yl)butyl]-1,3-dithian-2-yl]ethyl]-1,3-dioxolane
CID 23254613
2-Deoxy-3,4:5,6-di-O-isopropylidene-D-arabino-hexose propane-1,3-diyl dithioacetal
CID 74602964
(4R)-2,2-dimethyl-4-(8-octylsulfanyloctoxymethyl)-1,3-dioxolane
CID 162458933
4-Ethyl-2,2-bis[8-(nonylsulfanylmethylsulfanyl)octyl]-1,3-dioxolane
CID 170331894
4-Ethyl-2,2-bis[8-(octylsulfanylmethylsulfanyl)octyl]-1,3-dioxolane
CID 170331945

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane (CID 11258224) is (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](CCCC2(CCC[C@@H]3COC(C)(C)O3)SCCCS2)O1.
What is the InChIKey of (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is WSMAZJPBZNZSIE-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H36O4S2/c1-18(2)21-14-16(23-18)8-5-10-20(25-12-7-13-26-20)11-6-9-17-15-22-19(3,4)24-17/h16-17H,5-15H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 404.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[2-[3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]-1,3-dithian-2-yl]propyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11258224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).