[(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate

C22H39NO2Si2 — CID 139039806

IUPAC[(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O/C(=C\[C@H](c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)C(C)C
InChIInChI=1S/C22H39NO2Si2/c1-17(2)23(18(3)4)22(24)25-21(27(8,9)10)16-20(26(5,6)7)19-14-12-11-13-15-19/h11-18,20H,1-10H3/b21-16+/t20-/m1/s1
InChIKeyCTZJEGMPETWIBT-DXAMHKDYSA-N
MW405.73 g/mol
LogP6.66
Rot. Bonds7

About [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate

[(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 139039806) has the molecular formula C22H39NO2Si2 and a molecular weight of 405.73 g/mol. Its IUPAC name is [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID139039806
Molecular FormulaC22H39NO2Si2
Molecular Weight405.73 g/mol
Exact Mass405.25
IUPAC Name[(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O/C(=C\[C@H](c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)C(C)C
InChIInChI=1S/C22H39NO2Si2/c1-17(2)23(18(3)4)22(24)25-21(27(8,9)10)16-20(26(5,6)7)19-14-12-11-13-15-19/h11-18,20H,1-10H3/b21-16+/t20-/m1/s1
InChIKeyCTZJEGMPETWIBT-DXAMHKDYSA-N
XLogP6.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.73
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate (CID 139039806) is [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O/C(=C\[C@H](c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)C(C)C.
What is the InChIKey of [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is CTZJEGMPETWIBT-DXAMHKDYSA-N. The full InChI is InChI=1S/C22H39NO2Si2/c1-17(2)23(18(3)4)22(24)25-21(27(8,9)10)16-20(26(5,6)7)19-14-12-11-13-15-19/h11-18,20H,1-10H3/b21-16+/t20-/m1/s1.
What are the key properties of [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate?
[(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 405.73 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R)-3-phenyl-1,3-bis(trimethylsilyl)prop-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 139039806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).