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

C21H32OSi — CID 87556760

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane
SMILESCC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1OC)C1C=CC=C1
InChIInChI=1S/C21H32OSi/c1-8-23(9-2,17-12-10-11-13-17)19-15-16(3)14-18(20(19)22-7)21(4,5)6/h10-15,17H,8-9H2,1-7H3
InChIKeyLFHMTIMYLJGSON-UHFFFAOYSA-N
MW328.57 g/mol
LogP5.49
Rot. Bonds5

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

(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane (PubChem CID 87556760) has the molecular formula C21H32OSi and a molecular weight of 328.57 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane
PubChem CID87556760
Molecular FormulaC21H32OSi
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane
SMILESCC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1OC)C1C=CC=C1
InChIInChI=1S/C21H32OSi/c1-8-23(9-2,17-12-10-11-13-17)19-15-16(3)14-18(20(19)22-7)21(4,5)6/h10-15,17H,8-9H2,1-7H3
InChIKeyLFHMTIMYLJGSON-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-dimethylsilane
CID 87556435
(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)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87556801
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 87557202
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
CID 150340216
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;bis(2-methanidyl-N,N-dimethylaniline);scandium(3+)
CID 140540555
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane
CID 69041583
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(2,7-diphenyl-9H-fluoren-9-yl)-diethylsilane
CID 69232322
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
CID 69230383

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane (CID 87556760) is (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane is CC[Si](CC)(c1cc(C)cc(C(C)(C)C)c1OC)C1C=CC=C1.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane?
The InChIKey is LFHMTIMYLJGSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32OSi/c1-8-23(9-2,17-12-10-11-13-17)19-15-16(3)14-18(20(19)22-7)21(4,5)6/h10-15,17H,8-9H2,1-7H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-cyclopenta-2,4-dien-1-yl-diethylsilane has a molecular weight of 328.57 g/mol, XLogP of 5.49, 5 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-diethylsilane is sourced from PubChem (CID 87556760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).