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

C22H36OSi2 — CID 18347384

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C([Si](C)(C)C)C=CC1
InChIInChI=1S/C22H36OSi2/c1-16-14-17(22(2,3)4)21(23-5)20(15-16)25(9,10)19-13-11-12-18(19)24(6,7)8/h11-12,14-15H,13H2,1-10H3
InChIKeyNZPDHMQOOSQMRY-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.89
Rot. Bonds4

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

(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 18347384) has the molecular formula C22H36OSi2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
PubChem CID18347384
Molecular FormulaC22H36OSi2
Molecular Weight372.70 g/mol
Exact Mass372.23
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C([Si](C)(C)C)C=CC1
InChIInChI=1S/C22H36OSi2/c1-16-14-17(22(2,3)4)21(23-5)20(15-16)25(9,10)19-13-11-12-18(19)24(6,7)8/h11-12,14-15H,13H2,1-10H3
InChIKeyNZPDHMQOOSQMRY-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.89
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-trimethylsilylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane (CID 18347384) is (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane is COc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1=C([Si](C)(C)C)C=CC1.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is NZPDHMQOOSQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36OSi2/c1-16-14-17(22(2,3)4)21(23-5)20(15-16)25(9,10)19-13-11-12-18(19)24(6,7)8/h11-12,14-15H,13H2,1-10H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 372.70 g/mol, XLogP of 5.89, 4 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-trimethylsilylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 18347384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).