[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate

C21H35NO3Si — CID 154720372

IUPAC[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCO[Si](C/C=C\OC(=O)N(C(C)C)C(C)C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)22(18(3)4)20(23)25-15-12-16-26(24-8,21(5,6)7)19-13-10-9-11-14-19/h9-15,17-18H,16H2,1-8H3/b15-12-
InChIKeySICFXODSKBZHSE-QINSGFPZSA-N
MW377.60 g/mol
LogP5.05
Rot. Bonds7

About [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate

[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 154720372) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID154720372
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCO[Si](C/C=C\OC(=O)N(C(C)C)C(C)C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)22(18(3)4)20(23)25-15-12-16-26(24-8,21(5,6)7)19-13-10-9-11-14-19/h9-15,17-18H,16H2,1-8H3/b15-12-
InChIKeySICFXODSKBZHSE-QINSGFPZSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate (CID 154720372) is [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate is CO[Si](C/C=C\OC(=O)N(C(C)C)C(C)C)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is SICFXODSKBZHSE-QINSGFPZSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-17(2)22(18(3)4)20(23)25-15-12-16-26(24-8,21(5,6)7)19-13-10-9-11-14-19/h9-15,17-18H,16H2,1-8H3/b15-12-.
What are the key properties of [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
[(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 377.60 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(tert-butyl-methoxy-phenylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 154720372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).