7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one

C15H22O3Si — CID 13084904

IUPAC7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
SMILESCOC1C=C(O[Si](C)(C)C)CC2C=CC=CC1C2=O
InChIInChI=1S/C15H22O3Si/c1-17-14-10-12(18-19(2,3)4)9-11-7-5-6-8-13(14)15(11)16/h5-8,10-11,13-14H,9H2,1-4H3
InChIKeyLZFBLQVRRNTIPN-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.07
Rot. Bonds3

About 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one

7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one (PubChem CID 13084904) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one.

Molecular Properties

Compound Name7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
PubChem CID13084904
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
SMILESCOC1C=C(O[Si](C)(C)C)CC2C=CC=CC1C2=O
InChIInChI=1S/C15H22O3Si/c1-17-14-10-12(18-19(2,3)4)9-11-7-5-6-8-13(14)15(11)16/h5-8,10-11,13-14H,9H2,1-4H3
InChIKeyLZFBLQVRRNTIPN-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
CID 13084898
(1S,6S,7R)-7-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one
CID 135004381

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
The IUPAC name of 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one (CID 13084904) is 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one.
What is the SMILES notation for 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
The canonical SMILES for 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one is COC1C=C(O[Si](C)(C)C)CC2C=CC=CC1C2=O.
What is the InChIKey of 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
The InChIKey is LZFBLQVRRNTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-17-14-10-12(18-19(2,3)4)9-11-7-5-6-8-13(14)15(11)16/h5-8,10-11,13-14H,9H2,1-4H3.
What are the key properties of 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one?
7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one has a molecular weight of 278.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-trimethylsilyloxybicyclo[4.4.1]undeca-2,4,8-trien-11-one is sourced from PubChem (CID 13084904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).