[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane

C15H28O2Si — CID 139263634

IUPAC[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
SMILESCCCC[C@@H]1C=C(O[Si](CC)(CC)CC)[C@H]2O[C@H]21
InChIInChI=1S/C15H28O2Si/c1-5-9-10-12-11-13(15-14(12)16-15)17-18(6-2,7-3)8-4/h11-12,14-15H,5-10H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyJOTSDPGLAAGFTN-VHDGCEQUSA-N
MW268.47 g/mol
LogP4.48
Rot. Bonds8

About [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane

[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane (PubChem CID 139263634) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
PubChem CID139263634
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
SMILESCCCC[C@@H]1C=C(O[Si](CC)(CC)CC)[C@H]2O[C@H]21
InChIInChI=1S/C15H28O2Si/c1-5-9-10-12-11-13(15-14(12)16-15)17-18(6-2,7-3)8-4/h11-12,14-15H,5-10H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyJOTSDPGLAAGFTN-VHDGCEQUSA-N
XLogP4.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane 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

trimethyl-[[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 11644380
trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 46839064
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134939463
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
CID 139263633
[(1S,4S,5S)-4-tert-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263635
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263636
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
(8-But-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10060795
tert-butyl-dimethyl-[[(4E)-1-oxaspiro[2.7]dec-4-en-4-yl]oxy]silane
CID 10265045
Trimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10398284

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
The IUPAC name of [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane (CID 139263634) is [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
The canonical SMILES for [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane is CCCC[C@@H]1C=C(O[Si](CC)(CC)CC)[C@H]2O[C@H]21.
What is the InChIKey of [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
The InChIKey is JOTSDPGLAAGFTN-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-5-9-10-12-11-13(15-14(12)16-15)17-18(6-2,7-3)8-4/h11-12,14-15H,5-10H2,1-4H3/t12-,14+,15-/m1/s1.
What are the key properties of [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane has a molecular weight of 268.47 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane is sourced from PubChem (CID 139263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).