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

C38H56OSi — CID 123669309

IUPACmethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane
SMILESCC1CC2C(c3ccccc3)CCCC2C1[Si](C)(COC(C)(C)C)C1C(C)CC2C(c3ccccc3)CCCC21
InChIInChI=1S/C38H56OSi/c1-26-23-34-30(28-15-9-7-10-16-28)19-13-21-32(34)36(26)40(6,25-39-38(3,4)5)37-27(2)24-35-31(20-14-22-33(35)37)29-17-11-8-12-18-29/h7-12,15-18,26-27,30-37H,13-14,19-25H2,1-6H3
InChIKeyUEWPTBIXWBAOSD-UHFFFAOYSA-N
MW556.95 g/mol
LogP10.64
Rot. Bonds6

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

methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane (PubChem CID 123669309) has the molecular formula C38H56OSi and a molecular weight of 556.95 g/mol. Its IUPAC name is methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane.

Molecular Properties

Compound Namemethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane
PubChem CID123669309
Molecular FormulaC38H56OSi
Molecular Weight556.95 g/mol
Exact Mass556.41
IUPAC Namemethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane
SMILESCC1CC2C(c3ccccc3)CCCC2C1[Si](C)(COC(C)(C)C)C1C(C)CC2C(c3ccccc3)CCCC21
InChIInChI=1S/C38H56OSi/c1-26-23-34-30(28-15-9-7-10-16-28)19-13-21-32(34)36(26)40(6,25-39-38(3,4)5)37-27(2)24-35-31(20-14-22-33(35)37)29-17-11-8-12-18-29/h7-12,15-18,26-27,30-37H,13-14,19-25H2,1-6H3
InChIKeyUEWPTBIXWBAOSD-UHFFFAOYSA-N
XLogP10.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.95
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane?
The IUPAC name of methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane (CID 123669309) is methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane.
What is the SMILES notation for methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane?
The canonical SMILES for methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane is CC1CC2C(c3ccccc3)CCCC2C1[Si](C)(COC(C)(C)C)C1C(C)CC2C(c3ccccc3)CCCC21.
What is the InChIKey of methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane?
The InChIKey is UEWPTBIXWBAOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56OSi/c1-26-23-34-30(28-15-9-7-10-16-28)19-13-21-32(34)36(26)40(6,25-39-38(3,4)5)37-27(2)24-35-31(20-14-22-33(35)37)29-17-11-8-12-18-29/h7-12,15-18,26-27,30-37H,13-14,19-25H2,1-6H3.
What are the key properties of methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane?
methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane has a molecular weight of 556.95 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane is sourced from PubChem (CID 123669309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).