dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane

C34H48Si — CID 91269102

IUPACdimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC1CC2C(c3ccccc3)CCCC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3)CCCC21
InChIInChI=1S/C34H48Si/c1-23-21-31-27(25-13-7-5-8-14-25)17-11-19-29(31)33(23)35(3,4)34-24(2)22-32-28(18-12-20-30(32)34)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-34H,11-12,17-22H2,1-4H3
InChIKeyNGJWHXOWRHQSCX-UHFFFAOYSA-N
MW484.84 g/mol
LogP9.91
Rot. Bonds4

About dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane

dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (PubChem CID 91269102) has the molecular formula C34H48Si and a molecular weight of 484.84 g/mol. Its IUPAC name is dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
PubChem CID91269102
Molecular FormulaC34H48Si
Molecular Weight484.84 g/mol
Exact Mass484.35
IUPAC Namedimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
SMILESCC1CC2C(c3ccccc3)CCCC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3)CCCC21
InChIInChI=1S/C34H48Si/c1-23-21-31-27(25-13-7-5-8-14-25)17-11-19-29(31)33(23)35(3,4)34-24(2)22-32-28(18-12-20-30(32)34)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-34H,11-12,17-22H2,1-4H3
InChIKeyNGJWHXOWRHQSCX-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.84
LogP ≤ 59.91
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 dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The IUPAC name of dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane (CID 91269102) is dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane.
What is the SMILES notation for dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The canonical SMILES for dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is CC1CC2C(c3ccccc3)CCCC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3)CCCC21.
What is the InChIKey of dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
The InChIKey is NGJWHXOWRHQSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48Si/c1-23-21-31-27(25-13-7-5-8-14-25)17-11-19-29(31)33(23)35(3,4)34-24(2)22-32-28(18-12-20-30(32)34)26-15-9-6-10-16-26/h5-10,13-16,23-24,27-34H,11-12,17-22H2,1-4H3.
What are the key properties of dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane?
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane has a molecular weight of 484.84 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 91269102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).