[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate

C13H27NO3Si — CID 102531757

IUPAC[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate
SMILESCC(/C=C/[C@H](C)OC(N)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO3Si/c1-10(16-12(14)15)8-9-11(2)17-18(6,7)13(3,4)5/h8-11H,1-7H3,(H2,14,15)/b9-8+/t10-,11?/m0/s1
InChIKeyQDHGIWDBWVLRAQ-GQUHTFLRSA-N
MW273.45 g/mol
LogP3.44
Rot. Bonds5

About [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate

[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate (PubChem CID 102531757) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate.

Molecular Properties

Compound Name[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate
PubChem CID102531757
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Name[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate
SMILESCC(/C=C/[C@H](C)OC(N)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO3Si/c1-10(16-12(14)15)8-9-11(2)17-18(6,7)13(3,4)5/h8-11H,1-7H3,(H2,14,15)/b9-8+/t10-,11?/m0/s1
InChIKeyQDHGIWDBWVLRAQ-GQUHTFLRSA-N
XLogP3.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate?
The IUPAC name of [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate (CID 102531757) is [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate.
What is the SMILES notation for [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate?
The canonical SMILES for [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate is CC(/C=C/[C@H](C)OC(N)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate?
The InChIKey is QDHGIWDBWVLRAQ-GQUHTFLRSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-10(16-12(14)15)8-9-11(2)17-18(6,7)13(3,4)5/h8-11H,1-7H3,(H2,14,15)/b9-8+/t10-,11?/m0/s1.
What are the key properties of [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate?
[(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate has a molecular weight of 273.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-5-[tert-butyl(dimethyl)silyl]oxyhex-3-en-2-yl] carbamate is sourced from PubChem (CID 102531757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).