[(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate

C22H37NO3Si — CID 10318316

IUPAC[(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC[C@@H](O)[C@H](/C=C\OC(=O)N(C(C)C)C(C)C)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H37NO3Si/c1-8-21(24)19(16-27(6,7)20-12-10-9-11-13-20)14-15-26-22(25)23(17(2)3)18(4)5/h9-15,17-19,21,24H,8,16H2,1-7H3/b15-14-/t19-,21-/m1/s1
InChIKeyVTMILEMETOMALN-YJLOIDAESA-N
MW391.63 g/mol
LogP4.76
Rot. Bonds9

About [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate

[(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 10318316) has the molecular formula C22H37NO3Si and a molecular weight of 391.63 g/mol. Its IUPAC name is [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID10318316
Molecular FormulaC22H37NO3Si
Molecular Weight391.63 g/mol
Exact Mass391.25
IUPAC Name[(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCC[C@@H](O)[C@H](/C=C\OC(=O)N(C(C)C)C(C)C)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H37NO3Si/c1-8-21(24)19(16-27(6,7)20-12-10-9-11-13-20)14-15-26-22(25)23(17(2)3)18(4)5/h9-15,17-19,21,24H,8,16H2,1-7H3/b15-14-/t19-,21-/m1/s1
InChIKeyVTMILEMETOMALN-YJLOIDAESA-N
XLogP4.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 54.76
H-Bond Donors ≤ 51
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,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate (CID 10318316) is [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate is CC[C@@H](O)[C@H](/C=C\OC(=O)N(C(C)C)C(C)C)C[Si](C)(C)c1ccccc1.
What is the InChIKey of [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is VTMILEMETOMALN-YJLOIDAESA-N. The full InChI is InChI=1S/C22H37NO3Si/c1-8-21(24)19(16-27(6,7)20-12-10-9-11-13-20)14-15-26-22(25)23(17(2)3)18(4)5/h9-15,17-19,21,24H,8,16H2,1-7H3/b15-14-/t19-,21-/m1/s1.
What are the key properties of [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate?
[(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 391.63 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-hydroxyhex-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10318316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).