7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C20H24S3Si — CID 123638752

IUPAC7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCCCCCC[SiH]1c2cc(C)sc2-c2sc(-c3ccc(C)s3)cc21
InChIInChI=1S/C20H24S3Si/c1-4-5-6-7-10-24-17-11-14(3)22-19(17)20-18(24)12-16(23-20)15-9-8-13(2)21-15/h8-9,11-12,24H,4-7,10H2,1-3H3
InChIKeyPIIMHGKPFTYCIS-UHFFFAOYSA-N
MW388.70 g/mol
LogP6.06
Rot. Bonds6

About 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 123638752) has the molecular formula C20H24S3Si and a molecular weight of 388.70 g/mol. Its IUPAC name is 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID123638752
Molecular FormulaC20H24S3Si
Molecular Weight388.70 g/mol
Exact Mass388.08
IUPAC Name7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCCCCCC[SiH]1c2cc(C)sc2-c2sc(-c3ccc(C)s3)cc21
InChIInChI=1S/C20H24S3Si/c1-4-5-6-7-10-24-17-11-14(3)22-19(17)20-18(24)12-16(23-20)15-9-8-13(2)21-15/h8-9,11-12,24H,4-7,10H2,1-3H3
InChIKeyPIIMHGKPFTYCIS-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
5,5,18,18-tetra(heptadecyl)-8-methyl-21-(5-methylthiophen-2-yl)-9,22-dithiaheptacyclo[14.10.0.03,14.04,11.06,10.017,24.019,23]hexacosa-1,3(14),4(11),6(10),7,12,15,17(24),19(23),20,25-undecaene
CID 156682550
7-octyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-carbaldehyde
CID 173052439
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylphenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 88975831
bis(sulfanylidene)-tritio-tritiosulfanylsulfinothioyl-λ6-sulfane;7,7-dihexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 91034933
3-decyl-2-[5-[5-[3-decyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-[3-dodecyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylphenyl)-3-octylthiophene
CID 90958689
3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58825513
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
5-(5-hexylthiophen-2-yl)-2-[5-[3-methoxy-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-3-carbaldehyde
CID 88949973

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 123638752) is 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is CCCCCC[SiH]1c2cc(C)sc2-c2sc(-c3ccc(C)s3)cc21.
What is the InChIKey of 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is PIIMHGKPFTYCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S3Si/c1-4-5-6-7-10-24-17-11-14(3)22-19(17)20-18(24)12-16(23-20)15-9-8-13(2)21-15/h8-9,11-12,24H,4-7,10H2,1-3H3.
What are the key properties of 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 388.70 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-4-methyl-10-(5-methylthiophen-2-yl)-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 123638752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).