(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane

C24H38OSi — CID 87556801

IUPAC(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC[Si](CC)(C1=C(C)C(C)=CC1C)c1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C24H38OSi/c1-11-26(12-2,23-18(5)15-17(4)19(23)6)21-14-16(3)13-20(22(21)25-10)24(7,8)9/h13-15,18H,11-12H2,1-10H3
InChIKeyIBPASBKNNFANJG-UHFFFAOYSA-N
MW370.65 g/mol
LogP6.45
Rot. Bonds5

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

(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 87556801) has the molecular formula C24H38OSi and a molecular weight of 370.65 g/mol. Its IUPAC name is (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID87556801
Molecular FormulaC24H38OSi
Molecular Weight370.65 g/mol
Exact Mass370.27
IUPAC Name(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC[Si](CC)(C1=C(C)C(C)=CC1C)c1cc(C)cc(C(C)(C)C)c1OC
InChIInChI=1S/C24H38OSi/c1-11-26(12-2,23-18(5)15-17(4)19(23)6)21-14-16(3)13-20(22(21)25-10)24(7,8)9/h13-15,18H,11-12H2,1-10H3
InChIKeyIBPASBKNNFANJG-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 56.45
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)-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)-cyclopenta-2,4-dien-1-yl-diethylsilane
CID 87556760
[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane
CID 68740299
(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-1,3-dien-1-yl)silane;bis(2-methanidyl-N,N-dimethylaniline);scandium(3+)
CID 140540555
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
CID 150340216
(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
CID 68743959
(3-tert-butyl-5-methyl-2-pentoxyphenyl)-chloro-diethylsilane
CID 69041583
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-chloro-ethyl-methylsilane
CID 69230383
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane (CID 87556801) is (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane is CC[Si](CC)(C1=C(C)C(C)=CC1C)c1cc(C)cc(C(C)(C)C)c1OC.
What is the InChIKey of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is IBPASBKNNFANJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38OSi/c1-11-26(12-2,23-18(5)15-17(4)19(23)6)21-14-16(3)13-20(22(21)25-10)24(7,8)9/h13-15,18H,11-12H2,1-10H3.
What are the key properties of (3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane?
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 370.65 g/mol, XLogP of 6.45, 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)-diethyl-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 87556801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).