CID 174294695

C31H45OSi — CID 174294695

IUPAC—
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)CCCCCCOC(C)(C)C
InChIInChI=1S/C31H45OSi/c1-23-22-28-26(24-16-18-25(19-17-24)30(2,3)4)14-13-15-27(28)29(23)33(8)21-12-10-9-11-20-32-31(5,6)7/h13-19,22,29H,9-12,20-21H2,1-8H3
InChIKeyXOZXMHALGLMAFD-UHFFFAOYSA-N
MW461.79 g/mol
LogP9.19
Rot. Bonds9

About CID 174294695

CID 174294695 (PubChem CID 174294695) has the molecular formula C31H45OSi and a molecular weight of 461.79 g/mol.

Molecular Properties

Compound NameCID 174294695
PubChem CID174294695
Molecular FormulaC31H45OSi
Molecular Weight461.79 g/mol
Exact Mass461.32
IUPAC Name—
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)CCCCCCOC(C)(C)C
InChIInChI=1S/C31H45OSi/c1-23-22-28-26(24-16-18-25(19-17-24)30(2,3)4)14-13-15-27(28)29(23)33(8)21-12-10-9-11-20-32-31(5,6)7/h13-19,22,29H,9-12,20-21H2,1-8H3
InChIKeyXOZXMHALGLMAFD-UHFFFAOYSA-N
XLogP9.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.79
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
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1H-inden-1-yl-methyl-[2-methyl-4-(9-methylcarbazol-3-yl)-1H-inden-1-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
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dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
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4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-ide;8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacen-5-ide;[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silylidene]zirconium(2+);dichloride
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2-methyl-N-[methyl-(2-methyl-1H-inden-1-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 174294695?
The IUPAC name of CID 174294695 (CID 174294695) is not available.
What is the SMILES notation for CID 174294695?
The canonical SMILES for CID 174294695 is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)CCCCCCOC(C)(C)C.
What is the InChIKey of CID 174294695?
The InChIKey is XOZXMHALGLMAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45OSi/c1-23-22-28-26(24-16-18-25(19-17-24)30(2,3)4)14-13-15-27(28)29(23)33(8)21-12-10-9-11-20-32-31(5,6)7/h13-19,22,29H,9-12,20-21H2,1-8H3.
What are the key properties of CID 174294695?
CID 174294695 has a molecular weight of 461.79 g/mol, XLogP of 9.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174294695 is sourced from PubChem (CID 174294695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).