tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane

C17H32O3Si — CID 10859937

IUPACtert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1=C[C@@H](CCOC)[C@@H](OC)C1
InChIInChI=1S/C17H32O3Si/c1-13(20-21(7,8)17(2,3)4)15-11-14(9-10-18-5)16(12-15)19-6/h11,14,16H,1,9-10,12H2,2-8H3/t14-,16+/m1/s1
InChIKeyXRUYTKAEPMQHNR-ZBFHGGJFSA-N
MW312.53 g/mol
LogP4.52
Rot. Bonds7

About tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane

tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane (PubChem CID 10859937) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane
PubChem CID10859937
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1=C[C@@H](CCOC)[C@@H](OC)C1
InChIInChI=1S/C17H32O3Si/c1-13(20-21(7,8)17(2,3)4)15-11-14(9-10-18-5)16(12-15)19-6/h11,14,16H,1,9-10,12H2,2-8H3/t14-,16+/m1/s1
InChIKeyXRUYTKAEPMQHNR-ZBFHGGJFSA-N
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane (CID 10859937) is tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)C1=C[C@@H](CCOC)[C@@H](OC)C1.
What is the InChIKey of tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane?
The InChIKey is XRUYTKAEPMQHNR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-13(20-21(7,8)17(2,3)4)15-11-14(9-10-18-5)16(12-15)19-6/h11,14,16H,1,9-10,12H2,2-8H3/t14-,16+/m1/s1.
What are the key properties of tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane?
tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]ethenoxy]-dimethylsilane is sourced from PubChem (CID 10859937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).