(Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

C31H41NO2Si — CID 15969832

About (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

(Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (PubChem CID 15969832) has the molecular formula C31H41NO2Si and a molecular weight of 487.76 g/mol. Its IUPAC name is (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.

Molecular Properties

• Compound Name: (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
• PubChem CID: 15969832
• Molecular Formula: C31H41NO2Si
• Molecular Weight: 487.76 g/mol
• Exact Mass: 487.29
• IUPAC Name: (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
• SMILES: C=c1ccc(C)c/c1=C(/O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C31H41NO2Si/c1-24-19-20-25(2)28(23-24)29(33)32(30(3,4)5)21-22-34-35(31(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-20,23,33H,2,21-22H2,1,3-8H3/b29-28-
• InChIKey: TUBIPFWSPFYAFV-ZIADKAODSA-N
• XLogP: 4.71
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.76
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?

The IUPAC name of (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (CID 15969832) is (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.

What is the SMILES notation for (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?

The canonical SMILES for (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is C=c1ccc(C)c/c1=C(/O)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)C.

What is the InChIKey of (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?

The InChIKey is TUBIPFWSPFYAFV-ZIADKAODSA-N. The full InChI is InChI=1S/C31H41NO2Si/c1-24-19-20-25(2)28(23-24)29(33)32(30(3,4)5)21-22-34-35(31(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-20,23,33H,2,21-22H2,1,3-8H3/b29-28-.

What are the key properties of (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?

(Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol has a molecular weight of 487.76 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-[tert-butyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 15969832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).