tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane

C14H26OSi — CID 135056068

IUPACtert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
SMILESC=CC[C@@H]1CC=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-9-12-10-8-11-13(12)15-16(5,6)14(2,3)4/h7-8,11-13H,1,9-10H2,2-6H3/t12-,13-/m1/s1
InChIKeyJSHSFUIXXVYQKG-CHWSQXEVSA-N
MW238.45 g/mol
LogP4.53
Rot. Bonds4

About tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane (PubChem CID 135056068) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
PubChem CID135056068
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
SMILESC=CC[C@@H]1CC=C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-7-9-12-10-8-11-13(12)15-16(5,6)14(2,3)4/h7-8,11-13H,1,9-10H2,2-6H3/t12-,13-/m1/s1
InChIKeyJSHSFUIXXVYQKG-CHWSQXEVSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.53
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,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane (CID 135056068) is tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane is C=CC[C@@H]1CC=C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane?
The InChIKey is JSHSFUIXXVYQKG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26OSi/c1-7-9-12-10-8-11-13(12)15-16(5,6)14(2,3)4/h7-8,11-13H,1,9-10H2,2-6H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.53, 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,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 135056068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).