tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane

C18H34OSi — CID 22999056

IUPACtert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C1(CCC)CCCC1
InChIInChI=1S/C18H34OSi/c1-8-12-16(19-20(6,7)17(3,4)5)18(13-9-2)14-10-11-15-18/h1,16H,9-15H2,2-7H3
InChIKeyLYZNIEDSWFXCRC-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.76
Rot. Bonds6

About tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane

tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane (PubChem CID 22999056) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane
PubChem CID22999056
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C1(CCC)CCCC1
InChIInChI=1S/C18H34OSi/c1-8-12-16(19-20(6,7)17(3,4)5)18(13-9-2)14-10-11-15-18/h1,16H,9-15H2,2-7H3
InChIKeyLYZNIEDSWFXCRC-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane (CID 22999056) is tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane is C#CCC(O[Si](C)(C)C(C)(C)C)C1(CCC)CCCC1.
What is the InChIKey of tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane?
The InChIKey is LYZNIEDSWFXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-12-16(19-20(6,7)17(3,4)5)18(13-9-2)14-10-11-15-18/h1,16H,9-15H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane?
tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane has a molecular weight of 294.56 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(1-propylcyclopentyl)but-3-ynoxy]silane is sourced from PubChem (CID 22999056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).