(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one

C18H34O2Si — CID 102401926

IUPAC(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one
SMILESCC[Si](CC)(CC)O[C@@H](CC=C(C)C)C(=O)CC=C(C)C
InChIInChI=1S/C18H34O2Si/c1-8-21(9-2,10-3)20-18(14-12-16(6)7)17(19)13-11-15(4)5/h11-12,18H,8-10,13-14H2,1-7H3/t18-/m0/s1
InChIKeyVSQJLCSVHNOYOM-SFHVURJKSA-N
MW310.55 g/mol
LogP5.66
Rot. Bonds10

About (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one

(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one (PubChem CID 102401926) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one.

Molecular Properties

Compound Name(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one
PubChem CID102401926
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one
SMILESCC[Si](CC)(CC)O[C@@H](CC=C(C)C)C(=O)CC=C(C)C
InChIInChI=1S/C18H34O2Si/c1-8-21(9-2,10-3)20-18(14-12-16(6)7)17(19)13-11-15(4)5/h11-12,18H,8-10,13-14H2,1-7H3/t18-/m0/s1
InChIKeyVSQJLCSVHNOYOM-SFHVURJKSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.66
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 (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one?
The IUPAC name of (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one (CID 102401926) is (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one.
What is the SMILES notation for (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one?
The canonical SMILES for (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one is CC[Si](CC)(CC)O[C@@H](CC=C(C)C)C(=O)CC=C(C)C.
What is the InChIKey of (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one?
The InChIKey is VSQJLCSVHNOYOM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-8-21(9-2,10-3)20-18(14-12-16(6)7)17(19)13-11-15(4)5/h11-12,18H,8-10,13-14H2,1-7H3/t18-/m0/s1.
What are the key properties of (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one?
(6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one has a molecular weight of 310.55 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,9-dimethyl-6-triethylsilyloxydeca-2,8-dien-5-one is sourced from PubChem (CID 102401926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).