chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane

C26H27ClSi — CID 21188965

IUPACchloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27ClSi/c1-19(2)23-16-10-11-17-24-25(23)18-20(3)26(24)28(27,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-19,23,26H,1-3H3
InChIKeyGHRGLJXSQFGGLX-UHFFFAOYSA-N
MW403.04 g/mol
LogP6.01
Rot. Bonds4

About chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane

chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane (PubChem CID 21188965) has the molecular formula C26H27ClSi and a molecular weight of 403.04 g/mol. Its IUPAC name is chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane.

Molecular Properties

Compound Namechloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane
PubChem CID21188965
Molecular FormulaC26H27ClSi
Molecular Weight403.04 g/mol
Exact Mass402.16
IUPAC Namechloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane
SMILESCC1=CC2=C(C=CC=CC2C(C)C)C1[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27ClSi/c1-19(2)23-16-10-11-17-24-25(23)18-20(3)26(24)28(27,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-19,23,26H,1-3H3
InChIKeyGHRGLJXSQFGGLX-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.04
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane?
The IUPAC name of chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane (CID 21188965) is chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane.
What is the SMILES notation for chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane?
The canonical SMILES for chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane is CC1=CC2=C(C=CC=CC2C(C)C)C1[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane?
The InChIKey is GHRGLJXSQFGGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClSi/c1-19(2)23-16-10-11-17-24-25(23)18-20(3)26(24)28(27,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-19,23,26H,1-3H3.
What are the key properties of chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane?
chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane has a molecular weight of 403.04 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-methyl-4-propan-2-yl-1,4-dihydroazulen-1-yl)-diphenylsilane is sourced from PubChem (CID 21188965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).