(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one

C16H32O3Si — CID 72945073

IUPAC(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one
SMILESCC[C@@H](O)CC(=O)CC(O[Si](C)(C)C(C)(C)C)=C(C)C
InChIInChI=1S/C16H32O3Si/c1-9-13(17)10-14(18)11-15(12(2)3)19-20(7,8)16(4,5)6/h13,17H,9-11H2,1-8H3/t13-/m1/s1
InChIKeyZZRREZUYVRLRFZ-CYBMUJFWSA-N
MW300.52 g/mol
LogP4.42
Rot. Bonds7

About (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one

(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one (PubChem CID 72945073) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one.

Molecular Properties

Compound Name(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one
PubChem CID72945073
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one
SMILESCC[C@@H](O)CC(=O)CC(O[Si](C)(C)C(C)(C)C)=C(C)C
InChIInChI=1S/C16H32O3Si/c1-9-13(17)10-14(18)11-15(12(2)3)19-20(7,8)16(4,5)6/h13,17H,9-11H2,1-8H3/t13-/m1/s1
InChIKeyZZRREZUYVRLRFZ-CYBMUJFWSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one
CID 134878865

Frequently Asked Questions

What is the IUPAC name of (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one?
The IUPAC name of (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one (CID 72945073) is (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one.
What is the SMILES notation for (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one?
The canonical SMILES for (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one is CC[C@@H](O)CC(=O)CC(O[Si](C)(C)C(C)(C)C)=C(C)C.
What is the InChIKey of (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one?
The InChIKey is ZZRREZUYVRLRFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-13(17)10-14(18)11-15(12(2)3)19-20(7,8)16(4,5)6/h13,17H,9-11H2,1-8H3/t13-/m1/s1.
What are the key properties of (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one?
(7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one has a molecular weight of 300.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-methylnon-2-en-5-one is sourced from PubChem (CID 72945073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).