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

C15H29NO2Si — CID 10957001

IUPAC[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane
SMILESC=C(/C(C)=C/CO[Si](C)(C)C)N1CCC[C@H]1COC
InChIInChI=1S/C15H29NO2Si/c1-13(9-11-18-19(4,5)6)14(2)16-10-7-8-15(16)12-17-3/h9,15H,2,7-8,10-12H2,1,3-6H3/b13-9+/t15-/m0/s1
InChIKeyVGYWTNRMJSMSGP-GLNPCMGASA-N
MW283.49 g/mol
LogP3.41
Rot. Bonds7

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

[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane (PubChem CID 10957001) has the molecular formula C15H29NO2Si and a molecular weight of 283.49 g/mol. Its IUPAC name is [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane
PubChem CID10957001
Molecular FormulaC15H29NO2Si
Molecular Weight283.49 g/mol
Exact Mass283.20
IUPAC Name[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane
SMILESC=C(/C(C)=C/CO[Si](C)(C)C)N1CCC[C@H]1COC
InChIInChI=1S/C15H29NO2Si/c1-13(9-11-18-19(4,5)6)14(2)16-10-7-8-15(16)12-17-3/h9,15H,2,7-8,10-12H2,1,3-6H3/b13-9+/t15-/m0/s1
InChIKeyVGYWTNRMJSMSGP-GLNPCMGASA-N
XLogP3.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.41
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'}

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Related Compounds

(2S)-2-(methoxymethyl)-1-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 10911229
tert-butyl-[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-dimethylsilane
CID 10969423
(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dien-1-ol
CID 10921786
(2S)-2-(methoxymethyl)-1-[(3Z)-5-methoxy-3-methylpenta-1,3-dien-2-yl]pyrrolidine
CID 101709446

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane?
The IUPAC name of [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane (CID 10957001) is [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane.
What is the SMILES notation for [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane?
The canonical SMILES for [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane is C=C(/C(C)=C/CO[Si](C)(C)C)N1CCC[C@H]1COC.
What is the InChIKey of [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane?
The InChIKey is VGYWTNRMJSMSGP-GLNPCMGASA-N. The full InChI is InChI=1S/C15H29NO2Si/c1-13(9-11-18-19(4,5)6)14(2)16-10-7-8-15(16)12-17-3/h9,15H,2,7-8,10-12H2,1,3-6H3/b13-9+/t15-/m0/s1.
What are the key properties of [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane?
[(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane has a molecular weight of 283.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylpenta-2,4-dienoxy]-trimethylsilane is sourced from PubChem (CID 10957001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).