tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane

C15H32OSi — CID 139263961

IUPACtert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane
SMILESC=CCCCC[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-9-10-11-12-14(2)13-16-17(6,7)15(3,4)5/h8,14H,1,9-13H2,2-7H3/t14-/m1/s1
InChIKeySWSGOVOYZVUIHE-CQSZACIVSA-N
MW256.51 g/mol
LogP5.39
Rot. Bonds8

About tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane

tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane (PubChem CID 139263961) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane
PubChem CID139263961
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Nametert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane
SMILESC=CCCCC[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-9-10-11-12-14(2)13-16-17(6,7)15(3,4)5/h8,14H,1,9-13H2,2-7H3/t14-/m1/s1
InChIKeySWSGOVOYZVUIHE-CQSZACIVSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2R)-2-methyloct-7-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane (CID 139263961) is tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane is C=CCCCC[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane?
The InChIKey is SWSGOVOYZVUIHE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32OSi/c1-8-9-10-11-12-14(2)13-16-17(6,7)15(3,4)5/h8,14H,1,9-13H2,2-7H3/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane?
tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane has a molecular weight of 256.51 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-methyloct-7-enoxy]silane is sourced from PubChem (CID 139263961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).