(3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

C20H29ClOSi — CID 139784661

IUPAC(3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)C1(C)C=CC=C1C
InChIInChI=1S/C20H29ClOSi/c1-14-10-9-11-20(14,5)23(7,8)17-13-15(21)12-16(18(17)22-6)19(2,3)4/h9-13H,1-8H3
InChIKeyYMNZFKPXZXWMAU-UHFFFAOYSA-N
MW348.99 g/mol
LogP5.84
Rot. Bonds3

About (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane

(3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (PubChem CID 139784661) has the molecular formula C20H29ClOSi and a molecular weight of 348.99 g/mol. Its IUPAC name is (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
PubChem CID139784661
Molecular FormulaC20H29ClOSi
Molecular Weight348.99 g/mol
Exact Mass348.17
IUPAC Name(3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)C1(C)C=CC=C1C
InChIInChI=1S/C20H29ClOSi/c1-14-10-9-11-20(14,5)23(7,8)17-13-15(21)12-16(18(17)22-6)19(2,3)4/h9-13H,1-8H3
InChIKeyYMNZFKPXZXWMAU-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.99
LogP ≤ 55.84
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-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane (CID 139784661) is (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is COc1c(C(C)(C)C)cc(Cl)cc1[Si](C)(C)C1(C)C=CC=C1C.
What is the InChIKey of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is YMNZFKPXZXWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClOSi/c1-14-10-9-11-20(14,5)23(7,8)17-13-15(21)12-16(18(17)22-6)19(2,3)4/h9-13H,1-8H3.
What are the key properties of (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane?
(3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 348.99 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-chloro-2-methoxyphenyl)-(1,2-dimethylcyclopenta-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 139784661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).