[(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane

C13H24OSi — CID 101056981

IUPAC[(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane
SMILESC=CCC[C@H]1CC[C@]2(O[Si](C)(C)C)C[C@H]12
InChIInChI=1S/C13H24OSi/c1-5-6-7-11-8-9-13(10-12(11)13)14-15(2,3)4/h5,11-12H,1,6-10H2,2-4H3/t11-,12+,13-/m0/s1
InChIKeyLTPLSPZDRJGGGP-XQQFMLRXSA-N
MW224.42 g/mol
LogP3.97
Rot. Bonds5

About [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane

[(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane (PubChem CID 101056981) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane
PubChem CID101056981
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name[(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane
SMILESC=CCC[C@H]1CC[C@]2(O[Si](C)(C)C)C[C@H]12
InChIInChI=1S/C13H24OSi/c1-5-6-7-11-8-9-13(10-12(11)13)14-15(2,3)4/h5,11-12H,1,6-10H2,2-4H3/t11-,12+,13-/m0/s1
InChIKeyLTPLSPZDRJGGGP-XQQFMLRXSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane 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

[(1R,4R,5S)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane
CID 10443627
[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclopentyl]oxy-trimethylsilane
CID 10777104
Trimethyl-[(4-prop-2-enyl-1-bicyclo[3.1.0]hexanyl)oxy]silane
CID 10910818
trimethyl-[[(1S,4S,5R)-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane
CID 101056977
trimethyl-[[(1S,4S,5R)-4-methyl-4-pent-4-enyl-1-bicyclo[3.1.0]hexanyl]oxy]silane
CID 101056978
[(1R,4S,5S)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane
CID 101929506
[(1S,2S,3S)-1,3-bis(ethenyl)-2-prop-2-enylcyclopentyl]oxy-trimethylsilane
CID 101943797

Frequently Asked Questions

What is the IUPAC name of [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane?
The IUPAC name of [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane (CID 101056981) is [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane is C=CCC[C@H]1CC[C@]2(O[Si](C)(C)C)C[C@H]12.
What is the InChIKey of [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane?
The InChIKey is LTPLSPZDRJGGGP-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H24OSi/c1-5-6-7-11-8-9-13(10-12(11)13)14-15(2,3)4/h5,11-12H,1,6-10H2,2-4H3/t11-,12+,13-/m0/s1.
What are the key properties of [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane?
[(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,5R)-4-but-3-enyl-1-bicyclo[3.1.0]hexanyl]oxy-trimethylsilane is sourced from PubChem (CID 101056981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).