tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane

C24H39NOSi — CID 70060377

IUPACtert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2(CCC(/C=C\c3cccnc3)CC2)CC1
InChIInChI=1S/C24H39NOSi/c1-23(2,3)27(4,5)26-22-12-16-24(17-13-22)14-10-20(11-15-24)8-9-21-7-6-18-25-19-21/h6-9,18-20,22H,10-17H2,1-5H3/b9-8-
InChIKeyUSETVCAEDLKXKB-HJWRWDBZSA-N
MW385.67 g/mol
LogP7.24
Rot. Bonds4

About tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane

tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane (PubChem CID 70060377) has the molecular formula C24H39NOSi and a molecular weight of 385.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane
PubChem CID70060377
Molecular FormulaC24H39NOSi
Molecular Weight385.67 g/mol
Exact Mass385.28
IUPAC Nametert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC2(CCC(/C=C\c3cccnc3)CC2)CC1
InChIInChI=1S/C24H39NOSi/c1-23(2,3)27(4,5)26-22-12-16-24(17-13-22)14-10-20(11-15-24)8-9-21-7-6-18-25-19-21/h6-9,18-20,22H,10-17H2,1-5H3/b9-8-
InChIKeyUSETVCAEDLKXKB-HJWRWDBZSA-N
XLogP7.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.67
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane (CID 70060377) is tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CCC2(CCC(/C=C\c3cccnc3)CC2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane?
The InChIKey is USETVCAEDLKXKB-HJWRWDBZSA-N. The full InChI is InChI=1S/C24H39NOSi/c1-23(2,3)27(4,5)26-22-12-16-24(17-13-22)14-10-20(11-15-24)8-9-21-7-6-18-25-19-21/h6-9,18-20,22H,10-17H2,1-5H3/b9-8-.
What are the key properties of tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane?
tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane has a molecular weight of 385.67 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[9-[(Z)-2-pyridin-3-ylethenyl]spiro[5.5]undecan-3-yl]oxysilane is sourced from PubChem (CID 70060377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).