tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate

C21H35NO3Si — CID 57381809

IUPACtri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
SMILESCC(C)[Si](OC(=O)N(CCCC=O)Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)26(18(3)4,19(5)6)25-21(24)22(14-10-11-15-23)16-20-12-8-7-9-13-20/h7-9,12-13,15,17-19H,10-11,14,16H2,1-6H3
InChIKeySCGAKIZGZMTHAR-UHFFFAOYSA-N
MW377.60 g/mol
LogP5.78
Rot. Bonds10

About tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate

tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate (PubChem CID 57381809) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
PubChem CID57381809
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Nametri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
SMILESCC(C)[Si](OC(=O)N(CCCC=O)Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)26(18(3)4,19(5)6)25-21(24)22(14-10-11-15-23)16-20-12-8-7-9-13-20/h7-9,12-13,15,17-19H,10-11,14,16H2,1-6H3
InChIKeySCGAKIZGZMTHAR-UHFFFAOYSA-N
XLogP5.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
The IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate (CID 57381809) is tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate is CC(C)[Si](OC(=O)N(CCCC=O)Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
The InChIKey is SCGAKIZGZMTHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-17(2)26(18(3)4,19(5)6)25-21(24)22(14-10-11-15-23)16-20-12-8-7-9-13-20/h7-9,12-13,15,17-19H,10-11,14,16H2,1-6H3.
What are the key properties of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate has a molecular weight of 377.60 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate is sourced from PubChem (CID 57381809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).