2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane

C16H34O2S2 — CID 135274462

IUPAC2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane
SMILESCC(C)OC(CSC(C)C)C(CSC(C)C)OC(C)C
InChIInChI=1S/C16H34O2S2/c1-11(2)17-15(9-19-13(5)6)16(18-12(3)4)10-20-14(7)8/h11-16H,9-10H2,1-8H3
InChIKeyOGQQIMNQJRVDBU-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.86
Rot. Bonds11

About 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane

2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane (PubChem CID 135274462) has the molecular formula C16H34O2S2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane.

Molecular Properties

Compound Name2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane
PubChem CID135274462
Molecular FormulaC16H34O2S2
Molecular Weight322.58 g/mol
Exact Mass322.20
IUPAC Name2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane
SMILESCC(C)OC(CSC(C)C)C(CSC(C)C)OC(C)C
InChIInChI=1S/C16H34O2S2/c1-11(2)17-15(9-19-13(5)6)16(18-12(3)4)10-20-14(7)8/h11-16H,9-10H2,1-8H3
InChIKeyOGQQIMNQJRVDBU-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane?
The IUPAC name of 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane (CID 135274462) is 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane.
What is the SMILES notation for 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane?
The canonical SMILES for 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane is CC(C)OC(CSC(C)C)C(CSC(C)C)OC(C)C.
What is the InChIKey of 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane?
The InChIKey is OGQQIMNQJRVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2S2/c1-11(2)17-15(9-19-13(5)6)16(18-12(3)4)10-20-14(7)8/h11-16H,9-10H2,1-8H3.
What are the key properties of 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane?
2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane has a molecular weight of 322.58 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yloxy)-1,4-bis(propan-2-ylsulfanyl)butane is sourced from PubChem (CID 135274462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).