(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one

C15H30O2Si — CID 53235638

IUPAC(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(C)=O
InChIInChI=1S/C15H30O2Si/c1-8-12-14(15(6,7)13(5)16)17-18(9-2,10-3)11-4/h8,14H,1,9-12H2,2-7H3/t14-/m1/s1
InChIKeyKZFJYIBZUJFXOD-CQSZACIVSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds9

About (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one

(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one (PubChem CID 53235638) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one.

Molecular Properties

Compound Name(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one
PubChem CID53235638
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one
SMILESC=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(C)=O
InChIInChI=1S/C15H30O2Si/c1-8-12-14(15(6,7)13(5)16)17-18(9-2,10-3)11-4/h8,14H,1,9-12H2,2-7H3/t14-/m1/s1
InChIKeyKZFJYIBZUJFXOD-CQSZACIVSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
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 (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one?
The IUPAC name of (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one (CID 53235638) is (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one.
What is the SMILES notation for (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one?
The canonical SMILES for (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one is C=CC[C@@H](O[Si](CC)(CC)CC)C(C)(C)C(C)=O.
What is the InChIKey of (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one?
The InChIKey is KZFJYIBZUJFXOD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-12-14(15(6,7)13(5)16)17-18(9-2,10-3)11-4/h8,14H,1,9-12H2,2-7H3/t14-/m1/s1.
What are the key properties of (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one?
(4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one has a molecular weight of 270.49 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-dimethyl-4-triethylsilyloxyhept-6-en-2-one is sourced from PubChem (CID 53235638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).