8-benzyl-1,4-dioxa-7,10-dithiacyclododecane

C15H22O2S2 — CID 71445141

IUPAC8-benzyl-1,4-dioxa-7,10-dithiacyclododecane
SMILESc1ccc(CC2CSCCOCCOCCS2)cc1
InChIInChI=1S/C15H22O2S2/c1-2-4-14(5-3-1)12-15-13-18-10-8-16-6-7-17-9-11-19-15/h1-5,15H,6-13H2
InChIKeyOSFBQSFFILOMBI-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.11
Rot. Bonds2

About 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane

8-benzyl-1,4-dioxa-7,10-dithiacyclododecane (PubChem CID 71445141) has the molecular formula C15H22O2S2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane.

Molecular Properties

Compound Name8-benzyl-1,4-dioxa-7,10-dithiacyclododecane
PubChem CID71445141
Molecular FormulaC15H22O2S2
Molecular Weight298.47 g/mol
Exact Mass298.11
IUPAC Name8-benzyl-1,4-dioxa-7,10-dithiacyclododecane
SMILESc1ccc(CC2CSCCOCCOCCS2)cc1
InChIInChI=1S/C15H22O2S2/c1-2-4-14(5-3-1)12-15-13-18-10-8-16-6-7-17-9-11-19-15/h1-5,15H,6-13H2
InChIKeyOSFBQSFFILOMBI-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-1,7,4-dioxathiecan-9-ol
CID 91290510
2-[[4-[4-(thiiran-2-ylmethyl)phenyl]phenyl]methyl]thiirane
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2-benzyl-1,5,3-dioxazepane
CID 142764649
2-benzyl-1,4-dioxane
CID 12910406
trans-(12S,17S)-12,17-dibenzyl-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,14,15,18-tetrone
CID 101211209
4-benzyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998396
4-benzyl-1,3-oxathiolane-2-thione
CID 23568273
1,4,7,10-tetraoxa-13-thiacyclopentadecane
CID 12661564
1,4,7,13,16,19-hexaoxa-10,22-dithiacyclotetracosane
CID 520450
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
CID 103797022
methane;4-(2-phenylethyl)morpholine
CID 143698819

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane?
The IUPAC name of 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane (CID 71445141) is 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane.
What is the SMILES notation for 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane?
The canonical SMILES for 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane is c1ccc(CC2CSCCOCCOCCS2)cc1.
What is the InChIKey of 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane?
The InChIKey is OSFBQSFFILOMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S2/c1-2-4-14(5-3-1)12-15-13-18-10-8-16-6-7-17-9-11-19-15/h1-5,15H,6-13H2.
What are the key properties of 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane?
8-benzyl-1,4-dioxa-7,10-dithiacyclododecane has a molecular weight of 298.47 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1,4-dioxa-7,10-dithiacyclododecane is sourced from PubChem (CID 71445141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).