(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane

C23H29ClOSi — CID 71231037

IUPAC(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)Cl
InChIInChI=1S/C23H29ClOSi/c1-15-13-17-18(22(15)26(6,7)24)14-19(23(2,3)4)21(25-5)20(17)16-11-9-8-10-12-16/h8-14,22H,1-7H3
InChIKeyVFUJLECROWNZMH-UHFFFAOYSA-N
MW385.02 g/mol
LogP7.14
Rot. Bonds3

About (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane

(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane (PubChem CID 71231037) has the molecular formula C23H29ClOSi and a molecular weight of 385.02 g/mol. Its IUPAC name is (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane.

Molecular Properties

Compound Name(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
PubChem CID71231037
Molecular FormulaC23H29ClOSi
Molecular Weight385.02 g/mol
Exact Mass384.17
IUPAC Name(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)Cl
InChIInChI=1S/C23H29ClOSi/c1-15-13-17-18(22(15)26(6,7)24)14-19(23(2,3)4)21(25-5)20(17)16-11-9-8-10-12-16/h8-14,22H,1-7H3
InChIKeyVFUJLECROWNZMH-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.02
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane?
The IUPAC name of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane (CID 71231037) is (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane.
What is the SMILES notation for (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane?
The canonical SMILES for (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane is COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)Cl.
What is the InChIKey of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane?
The InChIKey is VFUJLECROWNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClOSi/c1-15-13-17-18(22(15)26(6,7)24)14-19(23(2,3)4)21(25-5)20(17)16-11-9-8-10-12-16/h8-14,22H,1-7H3.
What are the key properties of (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane?
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane has a molecular weight of 385.02 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane is sourced from PubChem (CID 71231037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).