(1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one

C18H32O5Si — CID 71489812

IUPAC(1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one
SMILESCC[Si](CC)(CC)O[C@@H](CC(C)=O)C[C@H]1C[C@H]2C[C@H](CC(=O)O2)O1
InChIInChI=1S/C18H32O5Si/c1-5-24(6-2,7-3)23-17(8-13(4)19)11-14-9-15-10-16(21-14)12-18(20)22-15/h14-17H,5-12H2,1-4H3/t14-,15+,16-,17+/m1/s1
InChIKeyBXTTXBOBFQDKIY-TWMKSMIVSA-N
MW356.54 g/mol
LogP3.61
Rot. Bonds9

About (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one

(1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one (PubChem CID 71489812) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one
PubChem CID71489812
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name(1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one
SMILESCC[Si](CC)(CC)O[C@@H](CC(C)=O)C[C@H]1C[C@H]2C[C@H](CC(=O)O2)O1
InChIInChI=1S/C18H32O5Si/c1-5-24(6-2,7-3)23-17(8-13(4)19)11-14-9-15-10-16(21-14)12-18(20)22-15/h14-17H,5-12H2,1-4H3/t14-,15+,16-,17+/m1/s1
InChIKeyBXTTXBOBFQDKIY-TWMKSMIVSA-N
XLogP3.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-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

Cryptocaryolone diacetate
CID 11771797
[(2R,4R)-4-acetyloxy-5-[(1R,3S,5S)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]pentan-2-yl] acetate
CID 162957292
(-)-Crytpocaryolone diacetate
CID 11255915
(4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-one
CID 145864775
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
[4-Acetyloxy-5-(7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl)pentan-2-yl] acetate
CID 72771708
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-6-oxooxan-2-yl]butanoate
CID 59012142
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6R)-6-[[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butanoate
CID 59012163
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate
CID 68768920
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-6-oxooxan-2-yl]butanoate
CID 70824205
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6R)-6-[[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butanoate
CID 89712709
(2R,6S,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 10544284

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one (CID 71489812) is (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one is CC[Si](CC)(CC)O[C@@H](CC(C)=O)C[C@H]1C[C@H]2C[C@H](CC(=O)O2)O1.
What is the InChIKey of (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one?
The InChIKey is BXTTXBOBFQDKIY-TWMKSMIVSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-5-24(6-2,7-3)23-17(8-13(4)19)11-14-9-15-10-16(21-14)12-18(20)22-15/h14-17H,5-12H2,1-4H3/t14-,15+,16-,17+/m1/s1.
What are the key properties of (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one?
(1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one has a molecular weight of 356.54 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-7-[(2R)-4-oxo-2-triethylsilyloxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 71489812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).