6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde

C20H24O2Si — CID 102532959

IUPAC6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde
SMILESC[Si](C)(C)Oc1c2ccc(c1C=O)CCc1ccc(cc1)CC2
InChIInChI=1S/C20H24O2Si/c1-23(2,3)22-20-18-11-9-16-6-4-15(5-7-16)8-10-17(12-13-18)19(20)14-21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyNYAPVBCICWLACE-UHFFFAOYSA-N
MW324.50 g/mol
LogP4.60
Rot. Bonds3

About 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde

6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde (PubChem CID 102532959) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde.

Molecular Properties

Compound Name6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde
PubChem CID102532959
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde
SMILESC[Si](C)(C)Oc1c2ccc(c1C=O)CCc1ccc(cc1)CC2
InChIInChI=1S/C20H24O2Si/c1-23(2,3)22-20-18-11-9-16-6-4-15(5-7-16)8-10-17(12-13-18)19(20)14-21/h4-7,12-14H,8-11H2,1-3H3
InChIKeyNYAPVBCICWLACE-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde?
The IUPAC name of 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde (CID 102532959) is 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde.
What is the SMILES notation for 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde?
The canonical SMILES for 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde is C[Si](C)(C)Oc1c2ccc(c1C=O)CCc1ccc(cc1)CC2.
What is the InChIKey of 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde?
The InChIKey is NYAPVBCICWLACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-23(2,3)22-20-18-11-9-16-6-4-15(5-7-16)8-10-17(12-13-18)19(20)14-21/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde?
6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde has a molecular weight of 324.50 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethylsilyloxytricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde is sourced from PubChem (CID 102532959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).