(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C10H18O3Si — CID 10846321

IUPAC(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[Si](C)(C)O[C@@H]1CC[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C10H18O3Si/c1-14(2,3)13-8-5-4-7-6-9(11)12-10(7)8/h7-8,10H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyIKCIZUYGAWSAMG-QXFUBDJGSA-N
MW214.34 g/mol
LogP1.93
Rot. Bonds2

About (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 10846321) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID10846321
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Name(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[Si](C)(C)O[C@@H]1CC[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C10H18O3Si/c1-14(2,3)13-8-5-4-7-6-9(11)12-10(7)8/h7-8,10H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyIKCIZUYGAWSAMG-QXFUBDJGSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
CID 10707198
6-Methoxyhexahydrocyclopenta[b]furan-2-one
CID 556710
[(3aR,4S,5S,6S,6aR)-5,6-diacetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl] acetate
CID 10614139
ethyl 2-[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 11042480
ethyl 2-[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 11107108
(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 58570448
(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 58570828
(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67577941
ethyl 2-(2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)acetate
CID 85377714
ethyl 2-[(3aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 134566862
ethyl 2-[(3aS,4R,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 134578809
ethyl 2-[(4R)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 134578811

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 10846321) is (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C[Si](C)(C)O[C@@H]1CC[C@H]2CC(=O)O[C@H]21.
What is the InChIKey of (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is IKCIZUYGAWSAMG-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-14(2,3)13-8-5-4-7-6-9(11)12-10(7)8/h7-8,10H,4-6H2,1-3H3/t7-,8+,10+/m0/s1.
What are the key properties of (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 214.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10846321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).