(4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one

C15H28O3Si — CID 10062448

IUPAC(4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](O)C=CC(=O)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-6-19(7-2,8-3)18-15-11(4)13(16)9-10-14(17)12(15)5/h9-13,15-16H,6-8H2,1-5H3/t11-,12+,13+,15-/m0/s1
InChIKeyABNZTRWJQHMUDR-JLNYLFASSA-N
MW284.47 g/mol
LogP3.15
Rot. Bonds5

About (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one

(4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one (PubChem CID 10062448) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name(4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
PubChem CID10062448
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](O)C=CC(=O)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-6-19(7-2,8-3)18-15-11(4)13(16)9-10-14(17)12(15)5/h9-13,15-16H,6-8H2,1-5H3/t11-,12+,13+,15-/m0/s1
InChIKeyABNZTRWJQHMUDR-JLNYLFASSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-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

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-one
CID 101658121
(4S,5S)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]-5-[(2E,5Z)-1-hydroxyocta-2,5-dienyl]cyclopent-2-en-1-one
CID 140749978
(4R,5S,6S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
CID 10408600
(E,5R,6S,7R)-7-[diethyl(propan-2-yl)silyl]oxy-5-hydroxy-2,6-dimethyldec-8-en-3-one
CID 10882440
(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 10990189
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)cyclohex-2-en-1-one
CID 11230620
(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one
CID 11807306
4-Hydroxy-5,7-dimethylcyclohept-2-en-1-one
CID 14379675
1-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethylcyclopenten-1-yl]propan-1-one
CID 101066730
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)cyclohex-2-en-1-one
CID 101555236
(1S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)bicyclo[4.1.0]hept-3-en-2-one
CID 101843098

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
The IUPAC name of (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one (CID 10062448) is (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one.
What is the SMILES notation for (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
The canonical SMILES for (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one is CC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](O)C=CC(=O)[C@H]1C.
What is the InChIKey of (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
The InChIKey is ABNZTRWJQHMUDR-JLNYLFASSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-6-19(7-2,8-3)18-15-11(4)13(16)9-10-14(17)12(15)5/h9-13,15-16H,6-8H2,1-5H3/t11-,12+,13+,15-/m0/s1.
What are the key properties of (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one?
(4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one has a molecular weight of 284.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S,7S)-4-hydroxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one is sourced from PubChem (CID 10062448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).