2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane

C17H32O5S4 — CID 59193500

IUPAC2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane
SMILESC(CSCC1CC1)OCOCCSSCCOCOCCSCC1CO1
InChIInChI=1S/C17H32O5S4/c1-2-16(1)12-23-7-3-18-14-20-5-9-25-26-10-6-21-15-19-4-8-24-13-17-11-22-17/h16-17H,1-15H2
InChIKeyBKJKKKPZQIVURQ-UHFFFAOYSA-N
MW444.71 g/mol
LogP3.62
Rot. Bonds21

About 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane

2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane (PubChem CID 59193500) has the molecular formula C17H32O5S4 and a molecular weight of 444.71 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane
PubChem CID59193500
Molecular FormulaC17H32O5S4
Molecular Weight444.71 g/mol
Exact Mass444.11
IUPAC Name2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane
SMILESC(CSCC1CC1)OCOCCSSCCOCOCCSCC1CO1
InChIInChI=1S/C17H32O5S4/c1-2-16(1)12-23-7-3-18-14-20-5-9-25-26-10-6-21-15-19-4-8-24-13-17-11-22-17/h16-17H,1-15H2
InChIKeyBKJKKKPZQIVURQ-UHFFFAOYSA-N
XLogP3.62
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.71
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(oxiran-2-ylmethylsulfanyl)ethylselanyl]ethylsulfanylmethyl]oxirane
CID 22899095
2-[1,5-bis(oxiran-2-ylmethylsulfanyl)pentan-2-ylsulfanylmethyl]oxirane
CID 139410923
trimethoxy-[3-(oxiran-2-ylmethylsulfanyl)propyl]silane
CID 140639990
2-[(propyldisulfanyl)methyl]oxirane
CID 174755902
2-[2-(cyclopropylmethoxy)ethyl]oxirane
CID 126983130
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
2-[2-[2-(thietan-3-ylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]oxirane
CID 87433192
(2R)-2-[2-[[(2S)-oxiran-2-yl]methylsulfanylmethyl]prop-2-enylsulfanylmethyl]oxirane
CID 54579194
3-[2-(2-methoxyethoxy)ethylsulfanylmethyl]azetidine
CID 66290715
1,3-bis[2-(oxiran-2-ylmethylsulfanyl)ethyl]imidazolidin-2-one
CID 22666812
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
The IUPAC name of 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane (CID 59193500) is 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane.
What is the SMILES notation for 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
The canonical SMILES for 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane is C(CSCC1CC1)OCOCCSSCCOCOCCSCC1CO1.
What is the InChIKey of 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
The InChIKey is BKJKKKPZQIVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5S4/c1-2-16(1)12-23-7-3-18-14-20-5-9-25-26-10-6-21-15-19-4-8-24-13-17-11-22-17/h16-17H,1-15H2.
What are the key properties of 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane has a molecular weight of 444.71 g/mol, XLogP of 3.62, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(cyclopropylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane is sourced from PubChem (CID 59193500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).