tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane

C16H31NOSi — CID 44543139

IUPACtert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane
SMILESC/C=C1\CCN=C1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NOSi/c1-7-14-11-12-17-15(14)10-8-9-13-18-19(5,6)16(2,3)4/h7H,8-13H2,1-6H3/b14-7+
InChIKeyGHMZDHDNZRHFAH-VGOFMYFVSA-N
MW281.52 g/mol
LogP4.97
Rot. Bonds6

About tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane

tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane (PubChem CID 44543139) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane
PubChem CID44543139
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Nametert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane
SMILESC/C=C1\CCN=C1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31NOSi/c1-7-14-11-12-17-15(14)10-8-9-13-18-19(5,6)16(2,3)4/h7H,8-13H2,1-6H3/b14-7+
InChIKeyGHMZDHDNZRHFAH-VGOFMYFVSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane (CID 44543139) is tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane is C/C=C1\CCN=C1CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane?
The InChIKey is GHMZDHDNZRHFAH-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H31NOSi/c1-7-14-11-12-17-15(14)10-8-9-13-18-19(5,6)16(2,3)4/h7H,8-13H2,1-6H3/b14-7+.
What are the key properties of tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane?
tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane has a molecular weight of 281.52 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(4E)-4-ethylidene-2,3-dihydropyrrol-5-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 44543139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).