2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane

C14H26OS4 — CID 175002711

IUPAC2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane
SMILESCCC(CC1SCCS1)OC(CC)CC1SCCS1
InChIInChI=1S/C14H26OS4/c1-3-11(9-13-16-5-6-17-13)15-12(4-2)10-14-18-7-8-19-14/h11-14H,3-10H2,1-2H3
InChIKeyFHFPATNFLKEDLH-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.95
Rot. Bonds8

About 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane

2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane (PubChem CID 175002711) has the molecular formula C14H26OS4 and a molecular weight of 338.63 g/mol. Its IUPAC name is 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane.

Molecular Properties

Compound Name2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane
PubChem CID175002711
Molecular FormulaC14H26OS4
Molecular Weight338.63 g/mol
Exact Mass338.09
IUPAC Name2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane
SMILESCCC(CC1SCCS1)OC(CC)CC1SCCS1
InChIInChI=1S/C14H26OS4/c1-3-11(9-13-16-5-6-17-13)15-12(4-2)10-14-18-7-8-19-14/h11-14H,3-10H2,1-2H3
InChIKeyFHFPATNFLKEDLH-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane?
The IUPAC name of 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane (CID 175002711) is 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane.
What is the SMILES notation for 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane?
The canonical SMILES for 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane is CCC(CC1SCCS1)OC(CC)CC1SCCS1.
What is the InChIKey of 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane?
The InChIKey is FHFPATNFLKEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS4/c1-3-11(9-13-16-5-6-17-13)15-12(4-2)10-14-18-7-8-19-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane?
2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane has a molecular weight of 338.63 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1,3-dithiolan-2-yl)butan-2-yloxy]butyl]-1,3-dithiolane is sourced from PubChem (CID 175002711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).