(1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one

C13H24O3Si — CID 100935456

IUPAC(1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC[Si](CC)(CC)O[C@]12COC(=O)[C@H]1C2(C)C
InChIInChI=1S/C13H24O3Si/c1-6-17(7-2,8-3)16-13-9-15-11(14)10(13)12(13,4)5/h10H,6-9H2,1-5H3/t10-,13+/m0/s1
InChIKeyLWXICWYCMQQTKE-GXFFZTMASA-N
MW256.42 g/mol
LogP2.96
Rot. Bonds5

About (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one

(1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 100935456) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID100935456
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC[Si](CC)(CC)O[C@]12COC(=O)[C@H]1C2(C)C
InChIInChI=1S/C13H24O3Si/c1-6-17(7-2,8-3)16-13-9-15-11(14)10(13)12(13,4)5/h10H,6-9H2,1-5H3/t10-,13+/m0/s1
InChIKeyLWXICWYCMQQTKE-GXFFZTMASA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

(1S,5R,7R)-5,6,6-trimethyl-2,9-dioxatricyclo[5.3.0.01,5]decan-8-one
CID 11229353
diethyl 4-methyl-5-oxooxolane-3,3-dicarboxylate
CID 131888286
(2Z,3R,3aR,7aS)-3,6-dimethyl-2-(3-methylbut-2-enylidene)-3-triethylsilyloxy-7,7a-dihydro-3aH-1-benzofuran-4-one
CID 23253672
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
CID 144704866
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
3,5-dimethyl-5-propyloxan-2-one
CID 89207974
diethyl 2-[(3R,5S)-5-chloro-5-methyl-2-oxooxan-3-yl]propanedioate
CID 102129158
(1R,3R,4S)-1,7,7-trimethyl-3-triethylsilyloxybicyclo[2.2.1]heptan-2-one
CID 11300554
(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane
CID 89052515
[(1S,2R,5S,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-yl]oxy-triethylsilane
CID 135068392
3-[2-(hydroxymethyl)-2-methylbutyl]-4,4-dimethyloxolan-2-one
CID 21304406

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one (CID 100935456) is (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one is CC[Si](CC)(CC)O[C@]12COC(=O)[C@H]1C2(C)C.
What is the InChIKey of (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is LWXICWYCMQQTKE-GXFFZTMASA-N. The full InChI is InChI=1S/C13H24O3Si/c1-6-17(7-2,8-3)16-13-9-15-11(14)10(13)12(13,4)5/h10H,6-9H2,1-5H3/t10-,13+/m0/s1.
What are the key properties of (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one?
(1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 256.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6,6-dimethyl-5-triethylsilyloxy-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 100935456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).