tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate

C24H47NO4Si — CID 102112372

IUPACtert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C/C(=C\CO)CCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H47NO4Si/c1-11-15-25(23(27)29-24(8,9)10)18-22(14-16-26)13-12-17-28-30(19(2)3,20(4)5)21(6)7/h11,14,19-21,26H,1,12-13,15-18H2,2-10H3/b22-14-
InChIKeyJYLIFWYQOKKSBT-HMAPJEAMSA-N
MW441.73 g/mol
LogP6.30
Rot. Bonds13

About tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate

tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate (PubChem CID 102112372) has the molecular formula C24H47NO4Si and a molecular weight of 441.73 g/mol. Its IUPAC name is tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate
PubChem CID102112372
Molecular FormulaC24H47NO4Si
Molecular Weight441.73 g/mol
Exact Mass441.33
IUPAC Nametert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C/C(=C\CO)CCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C24H47NO4Si/c1-11-15-25(23(27)29-24(8,9)10)18-22(14-16-26)13-12-17-28-30(19(2)3,20(4)5)21(6)7/h11,14,19-21,26H,1,12-13,15-18H2,2-10H3/b22-14-
InChIKeyJYLIFWYQOKKSBT-HMAPJEAMSA-N
XLogP6.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.73
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate (CID 102112372) is tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate is C=CCN(C/C(=C\CO)CCCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate?
The InChIKey is JYLIFWYQOKKSBT-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H47NO4Si/c1-11-15-25(23(27)29-24(8,9)10)18-22(14-16-26)13-12-17-28-30(19(2)3,20(4)5)21(6)7/h11,14,19-21,26H,1,12-13,15-18H2,2-10H3/b22-14-.
What are the key properties of tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate has a molecular weight of 441.73 g/mol, XLogP of 6.30, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2Z)-2-(2-hydroxyethylidene)-5-tri(propan-2-yl)silyloxypentyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 102112372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).