2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane

C22H32Si — CID 150033571

IUPAC2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane
SMILESC1=CCC2CCC([SiH2]C3(CC4CCCCC4)C=CC=CC3)C2=C1
InChIInChI=1S/C22H32Si/c1-3-9-18(10-4-1)17-22(15-7-2-8-16-22)23-21-14-13-19-11-5-6-12-20(19)21/h2,5-8,12,15,18-19,21H,1,3-4,9-11,13-14,16-17,23H2
InChIKeyDHTWOPUYRMKBAS-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.89
Rot. Bonds4

About 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane

2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane (PubChem CID 150033571) has the molecular formula C22H32Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane
PubChem CID150033571
Molecular FormulaC22H32Si
Molecular Weight324.58 g/mol
Exact Mass324.23
IUPAC Name2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane
SMILESC1=CCC2CCC([SiH2]C3(CC4CCCCC4)C=CC=CC3)C2=C1
InChIInChI=1S/C22H32Si/c1-3-9-18(10-4-1)17-22(15-7-2-8-16-22)23-21-14-13-19-11-5-6-12-20(19)21/h2,5-8,12,15,18-19,21H,1,3-4,9-11,13-14,16-17,23H2
InChIKeyDHTWOPUYRMKBAS-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane (CID 150033571) is 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane is C1=CCC2CCC([SiH2]C3(CC4CCCCC4)C=CC=CC3)C2=C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane?
The InChIKey is DHTWOPUYRMKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Si/c1-3-9-18(10-4-1)17-22(15-7-2-8-16-22)23-21-14-13-19-11-5-6-12-20(19)21/h2,5-8,12,15,18-19,21H,1,3-4,9-11,13-14,16-17,23H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane?
2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane has a molecular weight of 324.58 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-inden-1-yl-[1-(cyclohexylmethyl)cyclohexa-2,4-dien-1-yl]silane is sourced from PubChem (CID 150033571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).