1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane

C12H20O2S2 — CID 134878349

IUPAC1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane
SMILESC1COC2(CCC3(CC2)SCCCS3)OC1
InChIInChI=1S/C12H20O2S2/c1-7-13-11(14-8-1)3-5-12(6-4-11)15-9-2-10-16-12/h1-10H2
InChIKeyUBINQQABZISZQC-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.26
Rot. Bonds

About 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane

1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane (PubChem CID 134878349) has the molecular formula C12H20O2S2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane.

Molecular Properties

Compound Name1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane
PubChem CID134878349
Molecular FormulaC12H20O2S2
Molecular Weight260.42 g/mol
Exact Mass260.09
IUPAC Name1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane
SMILESC1COC2(CCC3(CC2)SCCCS3)OC1
InChIInChI=1S/C12H20O2S2/c1-7-13-11(14-8-1)3-5-12(6-4-11)15-9-2-10-16-12/h1-10H2
InChIKeyUBINQQABZISZQC-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-Dithian-2-yl)butyl]-1,3-dioxane
CID 14247642
4-(1,3-Dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxane
CID 71327742
1,4-Dioxa-9,13-dithiadispiro[4.2.58.25]pentadecane
CID 101990156
(4R)-4-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxane
CID 71423242

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane?
The IUPAC name of 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane (CID 134878349) is 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane.
What is the SMILES notation for 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane?
The canonical SMILES for 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane is C1COC2(CCC3(CC2)SCCCS3)OC1.
What is the InChIKey of 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane?
The InChIKey is UBINQQABZISZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S2/c1-7-13-11(14-8-1)3-5-12(6-4-11)15-9-2-10-16-12/h1-10H2.
What are the key properties of 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane?
1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane has a molecular weight of 260.42 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-10,14-dithiadispiro[5.2.59.26]hexadecane is sourced from PubChem (CID 134878349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).