dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane

C24H38S — CID 146435945

IUPACdimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane
SMILESC=CC(C)(C)C(C)(C)C1=CC(S(C)(C)C2C(C)=C(C)C(C)=C2C)C=C1
InChIInChI=1S/C24H38S/c1-12-23(6,7)24(8,9)20-13-14-21(15-20)25(10,11)22-18(4)16(2)17(3)19(22)5/h12-15,21-22H,1H2,2-11H3
InChIKeyZIZRWRAALAMDII-UHFFFAOYSA-N
MW358.64 g/mol
LogP7.21
Rot. Bonds5

About dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane

dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane (PubChem CID 146435945) has the molecular formula C24H38S and a molecular weight of 358.64 g/mol. Its IUPAC name is dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane
PubChem CID146435945
Molecular FormulaC24H38S
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Namedimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane
SMILESC=CC(C)(C)C(C)(C)C1=CC(S(C)(C)C2C(C)=C(C)C(C)=C2C)C=C1
InChIInChI=1S/C24H38S/c1-12-23(6,7)24(8,9)20-13-14-21(15-20)25(10,11)22-18(4)16(2)17(3)19(22)5/h12-15,21-22H,1H2,2-11H3
InChIKeyZIZRWRAALAMDII-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane?
The IUPAC name of dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane (CID 146435945) is dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane.
What is the SMILES notation for dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane?
The canonical SMILES for dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane is C=CC(C)(C)C(C)(C)C1=CC(S(C)(C)C2C(C)=C(C)C(C)=C2C)C=C1.
What is the InChIKey of dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane?
The InChIKey is ZIZRWRAALAMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38S/c1-12-23(6,7)24(8,9)20-13-14-21(15-20)25(10,11)22-18(4)16(2)17(3)19(22)5/h12-15,21-22H,1H2,2-11H3.
What are the key properties of dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane?
dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane has a molecular weight of 358.64 g/mol, XLogP of 7.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-λ4-sulfane is sourced from PubChem (CID 146435945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).