tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane

C20H36O3Si — CID 54030042

IUPACtert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CC1CCC#CCOC1CCCCO1
InChIInChI=1S/C20H36O3Si/c1-20(2,3)24(4,5)23-16-18-15-17(18)11-7-6-9-13-21-19-12-8-10-14-22-19/h17-19H,7-8,10-16H2,1-5H3
InChIKeyLEXYTGFYFOTANS-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.97
Rot. Bonds7

About tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane

tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane (PubChem CID 54030042) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane
PubChem CID54030042
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nametert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC1CC1CCC#CCOC1CCCCO1
InChIInChI=1S/C20H36O3Si/c1-20(2,3)24(4,5)23-16-18-15-17(18)11-7-6-9-13-21-19-12-8-10-14-22-19/h17-19H,7-8,10-16H2,1-5H3
InChIKeyLEXYTGFYFOTANS-UHFFFAOYSA-N
XLogP4.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane (CID 54030042) is tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCC1CC1CCC#CCOC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane?
The InChIKey is LEXYTGFYFOTANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-20(2,3)24(4,5)23-16-18-15-17(18)11-7-6-9-13-21-19-12-8-10-14-22-19/h17-19H,7-8,10-16H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane?
tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane has a molecular weight of 352.59 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2-[5-(oxan-2-yloxy)pent-3-ynyl]cyclopropyl]methoxy]silane is sourced from PubChem (CID 54030042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).