tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane

C18H35NO2Si — CID 10969423

IUPACtert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane
SMILESC=C(/C(C)=C/CO[Si](C)(C)C(C)(C)C)N1CCC[C@H]1COC
InChIInChI=1S/C18H35NO2Si/c1-15(11-13-21-22(7,8)18(3,4)5)16(2)19-12-9-10-17(19)14-20-6/h11,17H,2,9-10,12-14H2,1,3-8H3/b15-11+/t17-/m0/s1
InChIKeyHOKCYZKETFYDGS-JMPLCFMRSA-N
MW325.57 g/mol
LogP4.58
Rot. Bonds7

About tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane

tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane (PubChem CID 10969423) has the molecular formula C18H35NO2Si and a molecular weight of 325.57 g/mol. Its IUPAC name is tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane
PubChem CID10969423
Molecular FormulaC18H35NO2Si
Molecular Weight325.57 g/mol
Exact Mass325.24
IUPAC Nametert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane
SMILESC=C(/C(C)=C/CO[Si](C)(C)C(C)(C)C)N1CCC[C@H]1COC
InChIInChI=1S/C18H35NO2Si/c1-15(11-13-21-22(7,8)18(3,4)5)16(2)19-12-9-10-17(19)14-20-6/h11,17H,2,9-10,12-14H2,1,3-8H3/b15-11+/t17-/m0/s1
InChIKeyHOKCYZKETFYDGS-JMPLCFMRSA-N
XLogP4.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[(2Z,4E,6R)-6-(2-chlorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-7-nitrohepta-2,4-dienoxy]-dimethylsilane
CID 11799820
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
methyl (Z)-3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-4-(2-methylbut-3-en-2-yloxy)but-2-enoate
CID 177449009
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-yl]methanol
CID 140851328
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098
(E,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-5-imine
CID 10811019
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
CID 134386635
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
(2R)-2-chloro-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 129499508

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane (CID 10969423) is tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane is C=C(/C(C)=C/CO[Si](C)(C)C(C)(C)C)N1CCC[C@H]1COC.
What is the InChIKey of tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane?
The InChIKey is HOKCYZKETFYDGS-JMPLCFMRSA-N. The full InChI is InChI=1S/C18H35NO2Si/c1-15(11-13-21-22(7,8)18(3,4)5)16(2)19-12-9-10-17(19)14-20-6/h11,17H,2,9-10,12-14H2,1,3-8H3/b15-11+/t17-/m0/s1.
What are the key properties of tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane has a molecular weight of 325.57 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 10969423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).