(1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one

C20H30O2Si — CID 135004382

IUPAC(1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@H]2CCC[C@@]23C=CC=C[C@@H](C1)C3=O
InChIInChI=1S/C20H30O2Si/c1-19(2,3)23(4,5)22-17-13-15-9-6-7-11-20(18(15)21)12-8-10-16(20)14-17/h6-7,9,11,14-16H,8,10,12-13H2,1-5H3/t15-,16-,20-/m0/s1
InChIKeyKZZZFTIFNRNPNA-FTRWYGJKSA-N
MW330.54 g/mol
LogP5.39
Rot. Bonds2

About (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one

(1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one (PubChem CID 135004382) has the molecular formula C20H30O2Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one.

Molecular Properties

Compound Name(1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one
PubChem CID135004382
Molecular FormulaC20H30O2Si
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name(1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one
SMILESCC(C)(C)[Si](C)(C)OC1=C[C@@H]2CCC[C@@]23C=CC=C[C@@H](C1)C3=O
InChIInChI=1S/C20H30O2Si/c1-19(2,3)23(4,5)22-17-13-15-9-6-7-11-20(18(15)21)12-8-10-16(20)14-17/h6-7,9,11,14-16H,8,10,12-13H2,1-5H3/t15-,16-,20-/m0/s1
InChIKeyKZZZFTIFNRNPNA-FTRWYGJKSA-N
XLogP5.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 55.39
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 (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one?
The IUPAC name of (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one (CID 135004382) is (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one.
What is the SMILES notation for (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one?
The canonical SMILES for (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one is CC(C)(C)[Si](C)(C)OC1=C[C@@H]2CCC[C@@]23C=CC=C[C@@H](C1)C3=O.
What is the InChIKey of (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one?
The InChIKey is KZZZFTIFNRNPNA-FTRWYGJKSA-N. The full InChI is InChI=1S/C20H30O2Si/c1-19(2,3)23(4,5)22-17-13-15-9-6-7-11-20(18(15)21)12-8-10-16(20)14-17/h6-7,9,11,14-16H,8,10,12-13H2,1-5H3/t15-,16-,20-/m0/s1.
What are the key properties of (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one?
(1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one has a molecular weight of 330.54 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,9R)-7-[tert-butyl(dimethyl)silyl]oxytricyclo[7.4.1.01,5]tetradeca-6,10,12-trien-14-one is sourced from PubChem (CID 135004382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).