tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane

C26H28O2Si — CID 101262811

IUPACtert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C=C2c3c(ccc4ccccc34)O[C@H]21
InChIInChI=1S/C26H28O2Si/c1-26(2,3)29(4,5)28-25-20-13-9-7-11-18(20)16-21-23-19-12-8-6-10-17(19)14-15-22(23)27-24(21)25/h6-16,24-25H,1-5H3/t24-,25-/m1/s1
InChIKeyGDBVIRKIIXQWTM-JWQCQUIFSA-N
MW400.59 g/mol
LogP7.22
Rot. Bonds2

About tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane

tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane (PubChem CID 101262811) has the molecular formula C26H28O2Si and a molecular weight of 400.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane
PubChem CID101262811
Molecular FormulaC26H28O2Si
Molecular Weight400.59 g/mol
Exact Mass400.19
IUPAC Nametert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C=C2c3c(ccc4ccccc34)O[C@H]21
InChIInChI=1S/C26H28O2Si/c1-26(2,3)29(4,5)28-25-20-13-9-7-11-18(20)16-21-23-19-12-8-6-10-17(19)14-15-22(23)27-24(21)25/h6-16,24-25H,1-5H3/t24-,25-/m1/s1
InChIKeyGDBVIRKIIXQWTM-JWQCQUIFSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane (CID 101262811) is tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1c2ccccc2C=C2c3c(ccc4ccccc34)O[C@H]21.
What is the InChIKey of tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane?
The InChIKey is GDBVIRKIIXQWTM-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H28O2Si/c1-26(2,3)29(4,5)28-25-20-13-9-7-11-18(20)16-21-23-19-12-8-6-10-17(19)14-15-22(23)27-24(21)25/h6-16,24-25H,1-5H3/t24-,25-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane?
tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane has a molecular weight of 400.59 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(13R,14R)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,15,17,19-nonaen-14-yl]oxy]silane is sourced from PubChem (CID 101262811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).