(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C23H36OSi — CID 11035684

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C23H36OSi/c1-14-12-19(23(6,7)8)21(24-9)20(13-14)25(10,11)22-17(4)15(2)16(3)18(22)5/h12-13,22H,1-11H3
InChIKeyKCPASNRRZUNAMI-UHFFFAOYSA-N
MW356.63 g/mol
LogP6.27
Rot. Bonds3

About (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 11035684) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID11035684
Molecular FormulaC23H36OSi
Molecular Weight356.63 g/mol
Exact Mass356.25
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C23H36OSi/c1-14-12-19(23(6,7)8)21(24-9)20(13-14)25(10,11)22-17(4)15(2)16(3)18(22)5/h12-13,22H,1-11H3
InChIKeyKCPASNRRZUNAMI-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 11035684) is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is COc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is KCPASNRRZUNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36OSi/c1-14-12-19(23(6,7)8)21(24-9)20(13-14)25(10,11)22-17(4)15(2)16(3)18(22)5/h12-13,22H,1-11H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 356.63 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 11035684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).