1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane

C17H36O4S2 — CID 57264764

IUPAC1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane
SMILESCCSCC(COCOCC(CSCC)OC(C)C)OC(C)C
InChIInChI=1S/C17H36O4S2/c1-7-22-11-16(20-14(3)4)9-18-13-19-10-17(12-23-8-2)21-15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyIWZSOWWVXKJKBT-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.07
Rot. Bonds16

About 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane

1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane (PubChem CID 57264764) has the molecular formula C17H36O4S2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane
PubChem CID57264764
Molecular FormulaC17H36O4S2
Molecular Weight368.61 g/mol
Exact Mass368.21
IUPAC Name1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane
SMILESCCSCC(COCOCC(CSCC)OC(C)C)OC(C)C
InChIInChI=1S/C17H36O4S2/c1-7-22-11-16(20-14(3)4)9-18-13-19-10-17(12-23-8-2)21-15(5)6/h14-17H,7-13H2,1-6H3
InChIKeyIWZSOWWVXKJKBT-UHFFFAOYSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane?
The IUPAC name of 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane (CID 57264764) is 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane.
What is the SMILES notation for 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane?
The canonical SMILES for 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane is CCSCC(COCOCC(CSCC)OC(C)C)OC(C)C.
What is the InChIKey of 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane?
The InChIKey is IWZSOWWVXKJKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4S2/c1-7-22-11-16(20-14(3)4)9-18-13-19-10-17(12-23-8-2)21-15(5)6/h14-17H,7-13H2,1-6H3.
What are the key properties of 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane?
1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane has a molecular weight of 368.61 g/mol, XLogP of 4.07, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-[(3-ethylsulfanyl-2-propan-2-yloxypropoxy)methoxy]-2-propan-2-yloxypropane is sourced from PubChem (CID 57264764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).