5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene

C61H125NOSSeSiTe — CID 158923580

IUPAC5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)C=CC=C1.C[Si]1(C)C=CC=C1.c1cc[nH]c1.c1cc[se]c1.c1cc[te]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C7H10.C6H10Si.C4H5N.C4H4O.C4H4S.C4H4Se.C4H4Te.14C2H6/c2*1-7(2)5-3-4-6-7;5*1-2-4-5-3-1;14*1-2/h2*3-6H,1-2H3;1-5H;4*1-4H;14*1-2H3
InChIKeyJIDMNHHLBXTSIR-UHFFFAOYSA-N
MW1155.39 g/mol
LogP23.93
Rot. Bonds

About 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene

5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene (PubChem CID 158923580) has the molecular formula C61H125NOSSeSiTe and a molecular weight of 1155.39 g/mol. Its IUPAC name is 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene.

Molecular Properties

Compound Name5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene
PubChem CID158923580
Molecular FormulaC61H125NOSSeSiTe
Molecular Weight1155.39 g/mol
Exact Mass1157.75
IUPAC Name5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)C=CC=C1.C[Si]1(C)C=CC=C1.c1cc[nH]c1.c1cc[se]c1.c1cc[te]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C7H10.C6H10Si.C4H5N.C4H4O.C4H4S.C4H4Se.C4H4Te.14C2H6/c2*1-7(2)5-3-4-6-7;5*1-2-4-5-3-1;14*1-2/h2*3-6H,1-2H3;1-5H;4*1-4H;14*1-2H3
InChIKeyJIDMNHHLBXTSIR-UHFFFAOYSA-N
XLogP23.93
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.39
LogP ≤ 523.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene?
The IUPAC name of 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene (CID 158923580) is 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene.
What is the SMILES notation for 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene?
The canonical SMILES for 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1(C)C=CC=C1.C[Si]1(C)C=CC=C1.c1cc[nH]c1.c1cc[se]c1.c1cc[te]c1.c1ccoc1.c1ccsc1.
What is the InChIKey of 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene?
The InChIKey is JIDMNHHLBXTSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C6H10Si.C4H5N.C4H4O.C4H4S.C4H4Se.C4H4Te.14C2H6/c2*1-7(2)5-3-4-6-7;5*1-2-4-5-3-1;14*1-2/h2*3-6H,1-2H3;1-5H;4*1-4H;14*1-2H3.
What are the key properties of 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene?
5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene has a molecular weight of 1155.39 g/mol, XLogP of 23.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclopenta-1,3-diene;1,1-dimethylsilole;ethane;furan;1H-pyrrole;selenophene;tellurophene;thiophene is sourced from PubChem (CID 158923580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).