tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane

C15H28OSi — CID 11322735

IUPACtert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane
SMILESC=CC[C@]1(O[Si](C)(C)C(C)(C)C)CC=CCC1
InChIInChI=1S/C15H28OSi/c1-7-11-15(12-9-8-10-13-15)16-17(5,6)14(2,3)4/h7-9H,1,10-13H2,2-6H3/t15-/m0/s1
InChIKeyHPTWOROYCCHKBS-HNNXBMFYSA-N
MW252.47 g/mol
LogP5.06
Rot. Bonds4

About tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane (PubChem CID 11322735) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane
PubChem CID11322735
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane
SMILESC=CC[C@]1(O[Si](C)(C)C(C)(C)C)CC=CCC1
InChIInChI=1S/C15H28OSi/c1-7-11-15(12-9-8-10-13-15)16-17(5,6)14(2,3)4/h7-9H,1,10-13H2,2-6H3/t15-/m0/s1
InChIKeyHPTWOROYCCHKBS-HNNXBMFYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.06
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane (CID 11322735) is tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane is C=CC[C@]1(O[Si](C)(C)C(C)(C)C)CC=CCC1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
The InChIKey is HPTWOROYCCHKBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-7-11-15(12-9-8-10-13-15)16-17(5,6)14(2,3)4/h7-9H,1,10-13H2,2-6H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane has a molecular weight of 252.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-prop-2-enylcyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 11322735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).