10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one

C17H32OSi — CID 102064425

IUPAC10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one
SMILESC=C(CCC=C(C)C)C(CCC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C17H32OSi/c1-14(2)9-8-10-15(3)17(12-11-16(4)18)13-19(5,6)7/h9,17H,3,8,10-13H2,1-2,4-7H3
InChIKeyICGYNFPQDKXQEN-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.61
Rot. Bonds9

About 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one

10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one (PubChem CID 102064425) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one.

Molecular Properties

Compound Name10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one
PubChem CID102064425
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one
SMILESC=C(CCC=C(C)C)C(CCC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C17H32OSi/c1-14(2)9-8-10-15(3)17(12-11-16(4)18)13-19(5,6)7/h9,17H,3,8,10-13H2,1-2,4-7H3
InChIKeyICGYNFPQDKXQEN-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.61
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-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one?
The IUPAC name of 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one (CID 102064425) is 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one.
What is the SMILES notation for 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one?
The canonical SMILES for 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one is C=C(CCC=C(C)C)C(CCC(C)=O)C[Si](C)(C)C.
What is the InChIKey of 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one?
The InChIKey is ICGYNFPQDKXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-14(2)9-8-10-15(3)17(12-11-16(4)18)13-19(5,6)7/h9,17H,3,8,10-13H2,1-2,4-7H3.
What are the key properties of 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one?
10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one has a molecular weight of 280.53 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6-methylidene-5-(trimethylsilylmethyl)undec-9-en-2-one is sourced from PubChem (CID 102064425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).