[2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane

C30H40OS3Si — CID 90702332

IUPAC[2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane
SMILESCC1=C(c2ccc(C)o2)C2CC(C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C)s5)=C(C)SC43)C2S1
InChIInChI=1S/C30H40OS3Si/c1-15-13-21-25(23-11-9-17(3)31-23)19(5)33-27(21)29(15)35(7,8)30-16(2)14-22-26(20(6)34-28(22)30)24-12-10-18(4)32-24/h9-12,15-16,21-22,27-30H,13-14H2,1-8H3
InChIKeyQUBHGHVAYKMHRW-UHFFFAOYSA-N
MW540.94 g/mol
LogP10.11
Rot. Bonds4

About [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane

[2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane (PubChem CID 90702332) has the molecular formula C30H40OS3Si and a molecular weight of 540.94 g/mol. Its IUPAC name is [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane.

Molecular Properties

Compound Name[2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane
PubChem CID90702332
Molecular FormulaC30H40OS3Si
Molecular Weight540.94 g/mol
Exact Mass540.20
IUPAC Name[2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane
SMILESCC1=C(c2ccc(C)o2)C2CC(C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C)s5)=C(C)SC43)C2S1
InChIInChI=1S/C30H40OS3Si/c1-15-13-21-25(23-11-9-17(3)31-23)19(5)33-27(21)29(15)35(7,8)30-16(2)14-22-26(20(6)34-28(22)30)24-12-10-18(4)32-24/h9-12,15-16,21-22,27-30H,13-14H2,1-8H3
InChIKeyQUBHGHVAYKMHRW-UHFFFAOYSA-N
XLogP10.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.94
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane?
The IUPAC name of [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane (CID 90702332) is [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane.
What is the SMILES notation for [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane?
The canonical SMILES for [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane is CC1=C(c2ccc(C)o2)C2CC(C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C)s5)=C(C)SC43)C2S1.
What is the InChIKey of [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane?
The InChIKey is QUBHGHVAYKMHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40OS3Si/c1-15-13-21-25(23-11-9-17(3)31-23)19(5)33-27(21)29(15)35(7,8)30-16(2)14-22-26(20(6)34-28(22)30)24-12-10-18(4)32-24/h9-12,15-16,21-22,27-30H,13-14H2,1-8H3.
What are the key properties of [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane?
[2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane has a molecular weight of 540.94 g/mol, XLogP of 10.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-3-(5-methylfuran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[2,5-dimethyl-3-(5-methylthiophen-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane is sourced from PubChem (CID 90702332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).