[1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

C23H48N2O6Si2 — CID 151226329

About [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid

[1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (PubChem CID 151226329) has the molecular formula C23H48N2O6Si2 and a molecular weight of 504.82 g/mol. Its IUPAC name is [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.

Molecular Properties

• Compound Name: [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
• PubChem CID: 151226329
• Molecular Formula: C23H48N2O6Si2
• Molecular Weight: 504.82 g/mol
• Exact Mass: 504.31
• IUPAC Name: [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid
• SMILES: C=C(CCO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N(CC(=O)N(C)OC)C(=O)O
• InChI: InChI=1S/C23H48N2O6Si2/c1-18(14-15-30-32(10,11)22(2,3)4)19(17-31-33(12,13)23(5,6)7)25(21(27)28)16-20(26)24(8)29-9/h19H,1,14-17H2,2-13H3,(H,27,28)
• InChIKey: NNISRDAVLBUDAV-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 88.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.82
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?

The IUPAC name of [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid (CID 151226329) is [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid.

What is the SMILES notation for [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?

The canonical SMILES for [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is C=C(CCO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)N(CC(=O)N(C)OC)C(=O)O.

What is the InChIKey of [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?

The InChIKey is NNISRDAVLBUDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O6Si2/c1-18(14-15-30-32(10,11)22(2,3)4)19(17-31-33(12,13)23(5,6)7)25(21(27)28)16-20(26)24(8)29-9/h19H,1,14-17H2,2-13H3,(H,27,28).

What are the key properties of [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid?

[1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid has a molecular weight of 504.82 g/mol, XLogP of 5.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepentan-2-yl]-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 151226329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).