(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one

C18H30O2Si — CID 101440062

IUPAC(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one
SMILESC=C[C@@H]1CCC(=O)C12CCC(O[Si](C)(C)C)=C(C)C2CC
InChIInChI=1S/C18H30O2Si/c1-7-14-9-10-17(19)18(14)12-11-16(20-21(4,5)6)13(3)15(18)8-2/h7,14-15H,1,8-12H2,2-6H3/t14-,15?,18?/m1/s1
InChIKeyNAHCPHPIODYEBB-KSTDHSDQSA-N
MW306.52 g/mol
LogP5.08
Rot. Bonds4

About (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one

(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one (PubChem CID 101440062) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one.

Molecular Properties

Compound Name(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one
PubChem CID101440062
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one
SMILESC=C[C@@H]1CCC(=O)C12CCC(O[Si](C)(C)C)=C(C)C2CC
InChIInChI=1S/C18H30O2Si/c1-7-14-9-10-17(19)18(14)12-11-16(20-21(4,5)6)13(3)15(18)8-2/h7,14-15H,1,8-12H2,2-6H3/t14-,15?,18?/m1/s1
InChIKeyNAHCPHPIODYEBB-KSTDHSDQSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one?
The IUPAC name of (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one (CID 101440062) is (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one.
What is the SMILES notation for (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one?
The canonical SMILES for (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one is C=C[C@@H]1CCC(=O)C12CCC(O[Si](C)(C)C)=C(C)C2CC.
What is the InChIKey of (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one?
The InChIKey is NAHCPHPIODYEBB-KSTDHSDQSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-7-14-9-10-17(19)18(14)12-11-16(20-21(4,5)6)13(3)15(18)8-2/h7,14-15H,1,8-12H2,2-6H3/t14-,15?,18?/m1/s1.
What are the key properties of (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one?
(1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one has a molecular weight of 306.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethenyl-10-ethyl-9-methyl-8-trimethylsilyloxyspiro[4.5]dec-8-en-4-one is sourced from PubChem (CID 101440062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).