(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane

C21H32O2Si — CID 68743959

IUPAC(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
SMILESCC[Si](CC)(C1=CC=CC1)c1cc(OC)cc(C(C)(C)C)c1OC
InChIInChI=1S/C21H32O2Si/c1-8-24(9-2,17-12-10-11-13-17)19-15-16(22-6)14-18(20(19)23-7)21(3,4)5/h10-12,14-15H,8-9,13H2,1-7H3
InChIKeyURVIKCNNXASSER-UHFFFAOYSA-N
MW344.57 g/mol
LogP5.12
Rot. Bonds6

About (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane

(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane (PubChem CID 68743959) has the molecular formula C21H32O2Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane.

Molecular Properties

Compound Name(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
PubChem CID68743959
Molecular FormulaC21H32O2Si
Molecular Weight344.57 g/mol
Exact Mass344.22
IUPAC Name(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane
SMILESCC[Si](CC)(C1=CC=CC1)c1cc(OC)cc(C(C)(C)C)c1OC
InChIInChI=1S/C21H32O2Si/c1-8-24(9-2,17-12-10-11-13-17)19-15-16(22-6)14-18(20(19)23-7)21(3,4)5/h10-12,14-15H,8-9,13H2,1-7H3
InChIKeyURVIKCNNXASSER-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane 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

Butylated Hydroxyanisole
CID 8456
2,6-Di-tert-butyl-4-methoxyphenol
CID 10269
2-tert-Butyl-4-hydroxyanisole
CID 6932
2-tert-Butyl-1,4-dimethoxybenzene
CID 88792
2,5-Dimethoxytoluene
CID 90552
Benzene, 1,4-dimethoxy-2-(2-propenyl)-
CID 92534
Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-
CID 138995
6-tert-Butyl-3-methylanisole
CID 66615
Npc482626
CID 24667
2,5-Dimethoxy-p-cymene
CID 6427071
2-Allyl-4-methoxy-1-propoxybenzene (4c)
CID 24770788
tert-Butylanisole
CID 270626

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
The IUPAC name of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane (CID 68743959) is (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane.
What is the SMILES notation for (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
The canonical SMILES for (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane is CC[Si](CC)(C1=CC=CC1)c1cc(OC)cc(C(C)(C)C)c1OC.
What is the InChIKey of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
The InChIKey is URVIKCNNXASSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O2Si/c1-8-24(9-2,17-12-10-11-13-17)19-15-16(22-6)14-18(20(19)23-7)21(3,4)5/h10-12,14-15H,8-9,13H2,1-7H3.
What are the key properties of (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane?
(3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane has a molecular weight of 344.57 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,5-dimethoxyphenyl)-cyclopenta-1,3-dien-1-yl-diethylsilane is sourced from PubChem (CID 68743959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).