tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane

C19H36O3Si — CID 123691678

IUPACtert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane
SMILESC=C1CCC(OC2CCCCO2)C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-15-10-11-17(22-18-9-7-8-13-20-18)16(15)12-14-21-23(5,6)19(2,3)4/h16-18H,1,7-14H2,2-6H3
InChIKeyQGSWUEHYKXRVOF-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.28
Rot. Bonds6

About tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane

tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane (PubChem CID 123691678) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane
PubChem CID123691678
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nametert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane
SMILESC=C1CCC(OC2CCCCO2)C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-15-10-11-17(22-18-9-7-8-13-20-18)16(15)12-14-21-23(5,6)19(2,3)4/h16-18H,1,7-14H2,2-6H3
InChIKeyQGSWUEHYKXRVOF-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane (CID 123691678) is tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane is C=C1CCC(OC2CCCCO2)C1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane?
The InChIKey is QGSWUEHYKXRVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-15-10-11-17(22-18-9-7-8-13-20-18)16(15)12-14-21-23(5,6)19(2,3)4/h16-18H,1,7-14H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane?
tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane has a molecular weight of 340.58 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane is sourced from PubChem (CID 123691678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).