[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate

C18H35NO5Si — CID 11153009

IUPAC[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate
SMILESCC[C@H](/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)OC(N)=O
InChIInChI=1S/C18H35NO5Si/c1-9-13(22-16(19)20)10-11-14-15(24-18(5,6)23-14)12-21-25(7,8)17(2,3)4/h10-11,13-15H,9,12H2,1-8H3,(H2,19,20)/b11-10+/t13-,14+,15+/m1/s1
InChIKeyZIIJBAOXAUKLNH-RBQWNTMDSA-N
MW373.57 g/mol
LogP3.96
Rot. Bonds7

About [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate

[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate (PubChem CID 11153009) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate.

Molecular Properties

Compound Name[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate
PubChem CID11153009
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate
SMILESCC[C@H](/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)OC(N)=O
InChIInChI=1S/C18H35NO5Si/c1-9-13(22-16(19)20)10-11-14-15(24-18(5,6)23-14)12-21-25(7,8)17(2,3)4/h10-11,13-15H,9,12H2,1-8H3,(H2,19,20)/b11-10+/t13-,14+,15+/m1/s1
InChIKeyZIIJBAOXAUKLNH-RBQWNTMDSA-N
XLogP3.96
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate?
The IUPAC name of [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate (CID 11153009) is [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate.
What is the SMILES notation for [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate?
The canonical SMILES for [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate is CC[C@H](/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)OC(N)=O.
What is the InChIKey of [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate?
The InChIKey is ZIIJBAOXAUKLNH-RBQWNTMDSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-9-13(22-16(19)20)10-11-14-15(24-18(5,6)23-14)12-21-25(7,8)17(2,3)4/h10-11,13-15H,9,12H2,1-8H3,(H2,19,20)/b11-10+/t13-,14+,15+/m1/s1.
What are the key properties of [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate?
[(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate has a molecular weight of 373.57 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] carbamate is sourced from PubChem (CID 11153009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).