(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane

C19H28OSi — CID 87556435

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1C=CC=C1
InChIInChI=1S/C19H28OSi/c1-14-12-16(19(2,3)4)18(20-5)17(13-14)21(6,7)15-10-8-9-11-15/h8-13,15H,1-7H3
InChIKeyUAAKDAJOVXBEDB-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.71
Rot. Bonds3

About (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane

(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane (PubChem CID 87556435) has the molecular formula C19H28OSi and a molecular weight of 300.52 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane
PubChem CID87556435
Molecular FormulaC19H28OSi
Molecular Weight300.52 g/mol
Exact Mass300.19
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1C=CC=C1
InChIInChI=1S/C19H28OSi/c1-14-12-16(19(2,3)4)18(20-5)17(13-14)21(6,7)15-10-8-9-11-15/h8-13,15H,1-7H3
InChIKeyUAAKDAJOVXBEDB-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane
CID 87556760
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87557202
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 87556260
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
CID 150340216
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-1,3-dioxolane
CID 83959269
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87556801
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
(3-tert-butyl-5-chloro-2-methoxyphenyl)-chloro-dimethylsilane
CID 18347391
(3-tert-butyl-5-chloro-2-methoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
CID 18347434
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 72502399
[3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
CID 18347522

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane (CID 87556435) is (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane is COc1c(C(C)(C)C)cc(C)cc1[Si](C)(C)C1C=CC=C1.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane?
The InChIKey is UAAKDAJOVXBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi/c1-14-12-16(19(2,3)4)18(20-5)17(13-14)21(6,7)15-10-8-9-11-15/h8-13,15H,1-7H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane has a molecular weight of 300.52 g/mol, XLogP of 4.71, 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)-cyclopenta-2,4-dien-1-yl-dimethylsilane is sourced from PubChem (CID 87556435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).