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

C12H24O2S2 — CID 15932814

IUPAC8-butyl-1,4-dioxa-7,10-dithiacyclododecane
SMILESCCCCC1CSCCOCCOCCS1
InChIInChI=1S/C12H24O2S2/c1-2-3-4-12-11-15-9-7-13-5-6-14-8-10-16-12/h12H,2-11H2,1H3
InChIKeyLDRBJNFEBRUILM-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.06
Rot. Bonds3

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

8-butyl-1,4-dioxa-7,10-dithiacyclododecane (PubChem CID 15932814) has the molecular formula C12H24O2S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 8-butyl-1,4-dioxa-7,10-dithiacyclododecane.

Molecular Properties

Compound Name8-butyl-1,4-dioxa-7,10-dithiacyclododecane
PubChem CID15932814
Molecular FormulaC12H24O2S2
Molecular Weight264.46 g/mol
Exact Mass264.12
IUPAC Name8-butyl-1,4-dioxa-7,10-dithiacyclododecane
SMILESCCCCC1CSCCOCCOCCS1
InChIInChI=1S/C12H24O2S2/c1-2-3-4-12-11-15-9-7-13-5-6-14-8-10-16-12/h12H,2-11H2,1H3
InChIKeyLDRBJNFEBRUILM-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15932813
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CID 71405847
6,9-Dioxa-3,12-dithiatetradecane
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CID 4488106
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Frequently Asked Questions

What is the IUPAC name of 8-butyl-1,4-dioxa-7,10-dithiacyclododecane?
The IUPAC name of 8-butyl-1,4-dioxa-7,10-dithiacyclododecane (CID 15932814) is 8-butyl-1,4-dioxa-7,10-dithiacyclododecane.
What is the SMILES notation for 8-butyl-1,4-dioxa-7,10-dithiacyclododecane?
The canonical SMILES for 8-butyl-1,4-dioxa-7,10-dithiacyclododecane is CCCCC1CSCCOCCOCCS1.
What is the InChIKey of 8-butyl-1,4-dioxa-7,10-dithiacyclododecane?
The InChIKey is LDRBJNFEBRUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S2/c1-2-3-4-12-11-15-9-7-13-5-6-14-8-10-16-12/h12H,2-11H2,1H3.
What are the key properties of 8-butyl-1,4-dioxa-7,10-dithiacyclododecane?
8-butyl-1,4-dioxa-7,10-dithiacyclododecane has a molecular weight of 264.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-1,4-dioxa-7,10-dithiacyclododecane is sourced from PubChem (CID 15932814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).