benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one

C23H52O2S — CID 158612029

IUPACbenzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one
SMILESCC.CC.CC(C)=O.CCC.CCC.COC.CSC.c1ccccc1
InChIInChI=1S/C6H6.C3H6O.2C3H8.C2H6O.C2H6S.2C2H6/c1-2-4-6-5-3-1;1-3(2)4;4*1-3-2;2*1-2/h1-6H;1-2H3;2*3H2,1-2H3;2*1-2H3;2*1-2H3
InChIKeyHWYKKXRMBNWERD-UHFFFAOYSA-N
MW392.73 g/mol
LogP8.41
Rot. Bonds

About benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one

benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one (PubChem CID 158612029) has the molecular formula C23H52O2S and a molecular weight of 392.73 g/mol. Its IUPAC name is benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one.

Molecular Properties

Compound Namebenzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one
PubChem CID158612029
Molecular FormulaC23H52O2S
Molecular Weight392.73 g/mol
Exact Mass392.37
IUPAC Namebenzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one
SMILESCC.CC.CC(C)=O.CCC.CCC.COC.CSC.c1ccccc1
InChIInChI=1S/C6H6.C3H6O.2C3H8.C2H6O.C2H6S.2C2H6/c1-2-4-6-5-3-1;1-3(2)4;4*1-3-2;2*1-2/h1-6H;1-2H3;2*3H2,1-2H3;2*1-2H3;2*1-2H3
InChIKeyHWYKKXRMBNWERD-UHFFFAOYSA-N
XLogP8.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one?
The IUPAC name of benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one (CID 158612029) is benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one.
What is the SMILES notation for benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one?
The canonical SMILES for benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one is CC.CC.CC(C)=O.CCC.CCC.COC.CSC.c1ccccc1.
What is the InChIKey of benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one?
The InChIKey is HWYKKXRMBNWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H6O.2C3H8.C2H6O.C2H6S.2C2H6/c1-2-4-6-5-3-1;1-3(2)4;4*1-3-2;2*1-2/h1-6H;1-2H3;2*3H2,1-2H3;2*1-2H3;2*1-2H3.
What are the key properties of benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one?
benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one has a molecular weight of 392.73 g/mol, XLogP of 8.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methoxymethane;methylsulfanylmethane;propane;propan-2-one is sourced from PubChem (CID 158612029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).