ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide

C31H80INO5 — CID 158401112

IUPACethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
SMILESC.C.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC.CNC(C)=O.I
InChIInChI=1S/C3H7NO.4C3H6O.2C3H8.4C2H6.2CH4.HI/c1-3(5)4-2;4*1-3(2)4;2*1-3-2;4*1-2;;;/h1-2H3,(H,4,5);4*1-2H3;2*3H2,1-2H3;4*1-2H3;2*1H4;1H
InChIKeyCSWCFQCZUQWSDO-UHFFFAOYSA-N
MW673.89 g/mol
LogP10.96
Rot. Bonds

About ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide

ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide (PubChem CID 158401112) has the molecular formula C31H80INO5 and a molecular weight of 673.89 g/mol. Its IUPAC name is ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide.

Molecular Properties

Compound Nameethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
PubChem CID158401112
Molecular FormulaC31H80INO5
Molecular Weight673.89 g/mol
Exact Mass673.51
IUPAC Nameethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
SMILESC.C.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC.CNC(C)=O.I
InChIInChI=1S/C3H7NO.4C3H6O.2C3H8.4C2H6.2CH4.HI/c1-3(5)4-2;4*1-3(2)4;2*1-3-2;4*1-2;;;/h1-2H3,(H,4,5);4*1-2H3;2*3H2,1-2H3;4*1-2H3;2*1H4;1H
InChIKeyCSWCFQCZUQWSDO-UHFFFAOYSA-N
XLogP10.96
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.89
LogP ≤ 510.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;N-methylacetamide
CID 159401147
methane;N-methylacetamide
CID 169425645
bis(N-methylacetamide);propan-2-one
CID 158104043
N,N-diethylethanamine;N-methylacetamide
CID 19745535
N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
CID 159346586
N-methylacetamide;pentane-2,4-dione;bis(propan-2-one)
CID 91069648
methanamine;bis(N-methylacetamide);propan-2-one
CID 157204854
CID 159040973
CID 159040973
propane;propan-2-one
CID 90822370
potassium;hydride;N-methylacetamide
CID 173418413
formaldehyde;N-methylacetamide
CID 159490973
N,N-diethylethanamine;methanamine;methane;methanol;N-methylacetamide;pentane-2,4-dione
CID 160824227

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide?
The IUPAC name of ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide (CID 158401112) is ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide.
What is the SMILES notation for ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide?
The canonical SMILES for ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide is C.C.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC.CNC(C)=O.I.
What is the InChIKey of ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide?
The InChIKey is CSWCFQCZUQWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.4C3H6O.2C3H8.4C2H6.2CH4.HI/c1-3(5)4-2;4*1-3(2)4;2*1-3-2;4*1-2;;;/h1-2H3,(H,4,5);4*1-2H3;2*3H2,1-2H3;4*1-2H3;2*1H4;1H.
What are the key properties of ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide?
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide has a molecular weight of 673.89 g/mol, XLogP of 10.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide is sourced from PubChem (CID 158401112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).