tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane

C13H24OSi — CID 11401850

IUPACtert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane
SMILESC=C1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C13H24OSi/c1-11-7-9-12(10-8-11)14-15(5,6)13(2,3)4/h7,9,12H,1,8,10H2,2-6H3/t12-/m0/s1
InChIKeyBPFNJNZYKTXQPF-LBPRGKRZSA-N
MW224.42 g/mol
LogP4.28
Rot. Bonds2

About tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane (PubChem CID 11401850) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane
PubChem CID11401850
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane
SMILESC=C1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C13H24OSi/c1-11-7-9-12(10-8-11)14-15(5,6)13(2,3)4/h7,9,12H,1,8,10H2,2-6H3/t12-/m0/s1
InChIKeyBPFNJNZYKTXQPF-LBPRGKRZSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane (CID 11401850) is tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane is C=C1C=C[C@H](O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane?
The InChIKey is BPFNJNZYKTXQPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24OSi/c1-11-7-9-12(10-8-11)14-15(5,6)13(2,3)4/h7,9,12H,1,8,10H2,2-6H3/t12-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane has a molecular weight of 224.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 11401850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).