1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane

C26H38Si — CID 140664509

IUPAC1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane
SMILESCC1=CC=CC2C1CC(C)C2[Si]1(C2C(C)CC3C(C)=CC=CC32)CCCC1
InChIInChI=1S/C26H38Si/c1-17-9-7-11-21-23(17)15-19(3)25(21)27(13-5-6-14-27)26-20(4)16-24-18(2)10-8-12-22(24)26/h7-12,19-26H,5-6,13-16H2,1-4H3
InChIKeyVBTZCDAIUAZXFZ-UHFFFAOYSA-N
MW378.68 g/mol
LogP7.55
Rot. Bonds2

About 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane

1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane (PubChem CID 140664509) has the molecular formula C26H38Si and a molecular weight of 378.68 g/mol. Its IUPAC name is 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane.

Molecular Properties

Compound Name1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane
PubChem CID140664509
Molecular FormulaC26H38Si
Molecular Weight378.68 g/mol
Exact Mass378.27
IUPAC Name1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane
SMILESCC1=CC=CC2C1CC(C)C2[Si]1(C2C(C)CC3C(C)=CC=CC32)CCCC1
InChIInChI=1S/C26H38Si/c1-17-9-7-11-21-23(17)15-19(3)25(21)27(13-5-6-14-27)26-20(4)16-24-18(2)10-8-12-22(24)26/h7-12,19-26H,5-6,13-16H2,1-4H3
InChIKeyVBTZCDAIUAZXFZ-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane?
The IUPAC name of 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane (CID 140664509) is 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane.
What is the SMILES notation for 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane?
The canonical SMILES for 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane is CC1=CC=CC2C1CC(C)C2[Si]1(C2C(C)CC3C(C)=CC=CC32)CCCC1.
What is the InChIKey of 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane?
The InChIKey is VBTZCDAIUAZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Si/c1-17-9-7-11-21-23(17)15-19(3)25(21)27(13-5-6-14-27)26-20(4)16-24-18(2)10-8-12-22(24)26/h7-12,19-26H,5-6,13-16H2,1-4H3.
What are the key properties of 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane?
1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane has a molecular weight of 378.68 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,4-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane is sourced from PubChem (CID 140664509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).