(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one

C16H30O3Si — CID 14720519

IUPAC(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one
SMILESCC(C)[Si](O[C@@H]1CC[C@@H]2C[C@H]1OC2=O)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-10(2)20(11(3)4,12(5)6)19-14-8-7-13-9-15(14)18-16(13)17/h10-15H,7-9H2,1-6H3/t13-,14-,15-/m1/s1
InChIKeyURUZEDPROXWJET-RBSFLKMASA-N
MW298.50 g/mol
LogP4.27
Rot. Bonds5

About (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one

(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 14720519) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID14720519
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one
SMILESCC(C)[Si](O[C@@H]1CC[C@@H]2C[C@H]1OC2=O)(C(C)C)C(C)C
InChIInChI=1S/C16H30O3Si/c1-10(2)20(11(3)4,12(5)6)19-14-8-7-13-9-15(14)18-16(13)17/h10-15H,7-9H2,1-6H3/t13-,14-,15-/m1/s1
InChIKeyURUZEDPROXWJET-RBSFLKMASA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one with MolForge

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Related Compounds

methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
CID 10893326
(1S,2S,3R,4S,5R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-triethylsilyloxy-6-oxabicyclo[3.2.1]octan-7-one
CID 11827413
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylbutanoate
CID 18336318
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate
CID 18336319
1-O-ethyl 4-O-(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) butanedioate
CID 20759679
1-O-[2-(2-methylbutanoyloxy)ethyl] 4-O-(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) butanedioate
CID 23518138
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-dimethylpropanoate
CID 57711947
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) acetate
CID 58734476
4-Methoxy-6-oxabicyclo[3.2.1]octan-7-one
CID 58905994
(7-Oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylpropanoate
CID 58980535
2-Trimethylsilylethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59001142
2-trimethylsilylethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59001145

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one (CID 14720519) is (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one is CC(C)[Si](O[C@@H]1CC[C@@H]2C[C@H]1OC2=O)(C(C)C)C(C)C.
What is the InChIKey of (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is URUZEDPROXWJET-RBSFLKMASA-N. The full InChI is InChI=1S/C16H30O3Si/c1-10(2)20(11(3)4,12(5)6)19-14-8-7-13-9-15(14)18-16(13)17/h10-15H,7-9H2,1-6H3/t13-,14-,15-/m1/s1.
What are the key properties of (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one?
(1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 298.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-4-tri(propan-2-yl)silyloxy-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 14720519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).