10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one

C14H22OSi — CID 12815537

IUPAC10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one
SMILESCC1=CCCCC12CC([Si](C)(C)C)=CC2=O
InChIInChI=1S/C14H22OSi/c1-11-7-5-6-8-14(11)10-12(9-13(14)15)16(2,3)4/h7,9H,5-6,8,10H2,1-4H3
InChIKeyBCUNYKFMNKPSAR-UHFFFAOYSA-N
MW234.41 g/mol
LogP3.88
Rot. Bonds1

About 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one

10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one (PubChem CID 12815537) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one.

Molecular Properties

Compound Name10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one
PubChem CID12815537
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one
SMILESCC1=CCCCC12CC([Si](C)(C)C)=CC2=O
InChIInChI=1S/C14H22OSi/c1-11-7-5-6-8-14(11)10-12(9-13(14)15)16(2,3)4/h7,9H,5-6,8,10H2,1-4H3
InChIKeyBCUNYKFMNKPSAR-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one?
The IUPAC name of 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one (CID 12815537) is 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one.
What is the SMILES notation for 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one?
The canonical SMILES for 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one is CC1=CCCCC12CC([Si](C)(C)C)=CC2=O.
What is the InChIKey of 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one?
The InChIKey is BCUNYKFMNKPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OSi/c1-11-7-5-6-8-14(11)10-12(9-13(14)15)16(2,3)4/h7,9H,5-6,8,10H2,1-4H3.
What are the key properties of 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one?
10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one has a molecular weight of 234.41 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-trimethylsilylspiro[4.5]deca-2,9-dien-4-one is sourced from PubChem (CID 12815537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).