tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane

C19H34O2Si — CID 101270898

IUPACtert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane
SMILESC=CCOCC1=C[C@H]2CCCCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-7-13-20-15-17-14-16-11-9-8-10-12-19(16,17)21-22(5,6)18(2,3)4/h7,14,16H,1,8-13,15H2,2-6H3/t16-,19+/m1/s1
InChIKeyKSHVZRNRFXCAKI-APWZRJJASA-N
MW322.57 g/mol
LogP5.47
Rot. Bonds6

About tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane

tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane (PubChem CID 101270898) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane
PubChem CID101270898
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Nametert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane
SMILESC=CCOCC1=C[C@H]2CCCCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O2Si/c1-7-13-20-15-17-14-16-11-9-8-10-12-19(16,17)21-22(5,6)18(2,3)4/h7,14,16H,1,8-13,15H2,2-6H3/t16-,19+/m1/s1
InChIKeyKSHVZRNRFXCAKI-APWZRJJASA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.47
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane (CID 101270898) is tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane is C=CCOCC1=C[C@H]2CCCCC[C@@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane?
The InChIKey is KSHVZRNRFXCAKI-APWZRJJASA-N. The full InChI is InChI=1S/C19H34O2Si/c1-7-13-20-15-17-14-16-11-9-8-10-12-19(16,17)21-22(5,6)18(2,3)4/h7,14,16H,1,8-13,15H2,2-6H3/t16-,19+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane has a molecular weight of 322.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane is sourced from PubChem (CID 101270898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).