2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)

C16H30O4S2 — CID 118599535

IUPAC2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(C)(S)C(=O)OCCOC(=O)C(C)(C)S
InChIInChI=1S/C10H18O4S2.2C3H6/c1-9(2,15)7(11)13-5-6-14-8(12)10(3,4)16;2*1-3-2/h15-16H,5-6H2,1-4H3;2*3H,1H2,2H3
InChIKeyGQGLQEGBHDXEJG-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)

2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene) (PubChem CID 118599535) has the molecular formula C16H30O4S2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene).

Molecular Properties

Compound Name2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)
PubChem CID118599535
Molecular FormulaC16H30O4S2
Molecular Weight350.55 g/mol
Exact Mass350.16
IUPAC Name2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(C)(S)C(=O)OCCOC(=O)C(C)(C)S
InChIInChI=1S/C10H18O4S2.2C3H6/c1-9(2,15)7(11)13-5-6-14-8(12)10(3,4)16;2*1-3-2/h15-16H,5-6H2,1-4H3;2*3H,1H2,2H3
InChIKeyGQGLQEGBHDXEJG-UHFFFAOYSA-N
XLogP3.87
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Bis(prop-1-ene);2-(3-sulfanylpropanoyloxy)ethyl 3-sulfanylpropanoate
CID 87065931
Bis(prop-1-ene);2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 87066183
Prop-1-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 87421839
Bis(prop-1-ene);2-(3-sulfanylbutanoyloxy)ethyl 3-sulfanylbutanoate
CID 88536832
Bis(prop-1-ene);2-(2-sulfanylpropanoyloxy)ethyl 2-sulfanylpropanoate
CID 118599635
2-[2-[2-[2-(2-Methyl-2-sulfanylpropanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-methyl-2-sulfanylpropanoate
CID 140188594
But-2-ene;2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
CID 159571579

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)?
The IUPAC name of 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene) (CID 118599535) is 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene).
What is the SMILES notation for 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)?
The canonical SMILES for 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene) is C=CC.C=CC.CC(C)(S)C(=O)OCCOC(=O)C(C)(C)S.
What is the InChIKey of 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)?
The InChIKey is GQGLQEGBHDXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S2.2C3H6/c1-9(2,15)7(11)13-5-6-14-8(12)10(3,4)16;2*1-3-2/h15-16H,5-6H2,1-4H3;2*3H,1H2,2H3.
What are the key properties of 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene)?
2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene) has a molecular weight of 350.55 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-sulfanylpropanoyl)oxyethyl 2-methyl-2-sulfanylpropanoate;bis(prop-1-ene) is sourced from PubChem (CID 118599535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).