4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol

C28H38O2Si — CID 46205799

IUPAC4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H38O2Si/c1-28(2,3)31(4,5)30-25-18-14-23(15-19-25)27(22-12-16-24(29)17-13-22)26-20-8-6-9-21(26)11-7-10-20/h12-21,29H,6-11H2,1-5H3
InChIKeyCEYNPBPKMFOHBD-UHFFFAOYSA-N
MW434.70 g/mol
LogP8.18
Rot. Bonds4

About 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol

4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol (PubChem CID 46205799) has the molecular formula C28H38O2Si and a molecular weight of 434.70 g/mol. Its IUPAC name is 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol.

Molecular Properties

Compound Name4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol
PubChem CID46205799
Molecular FormulaC28H38O2Si
Molecular Weight434.70 g/mol
Exact Mass434.26
IUPAC Name4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H38O2Si/c1-28(2,3)31(4,5)30-25-18-14-23(15-19-25)27(22-12-16-24(29)17-13-22)26-20-8-6-9-21(26)11-7-10-20/h12-21,29H,6-11H2,1-5H3
InChIKeyCEYNPBPKMFOHBD-UHFFFAOYSA-N
XLogP8.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 58.18
H-Bond Donors ≤ 51
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 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol?
The IUPAC name of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol (CID 46205799) is 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol.
What is the SMILES notation for 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol?
The canonical SMILES for 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol is CC(C)(C)[Si](C)(C)Oc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol?
The InChIKey is CEYNPBPKMFOHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O2Si/c1-28(2,3)31(4,5)30-25-18-14-23(15-19-25)27(22-12-16-24(29)17-13-22)26-20-8-6-9-21(26)11-7-10-20/h12-21,29H,6-11H2,1-5H3.
What are the key properties of 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol?
4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol has a molecular weight of 434.70 g/mol, XLogP of 8.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-bicyclo[3.3.1]nonanylidene-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]phenol is sourced from PubChem (CID 46205799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).