2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid

C18H30O5Si — CID 89187015

IUPAC2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid
SMILESC=C1C(CC(=O)O)C(O[Si](C)(C)C(C)(C)C)[C@]2(C)C(=O)OC[C@]12C
InChIInChI=1S/C18H30O5Si/c1-11-12(9-13(19)20)14(23-24(7,8)16(2,3)4)18(6)15(21)22-10-17(11,18)5/h12,14H,1,9-10H2,2-8H3,(H,19,20)/t12?,14?,17-,18-/m1/s1
InChIKeyHZPWPYSGJKRZQY-CFSGWGOTSA-N
MW354.52 g/mol
LogP3.61
Rot. Bonds4

About 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid

2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid (PubChem CID 89187015) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid
PubChem CID89187015
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid
SMILESC=C1C(CC(=O)O)C(O[Si](C)(C)C(C)(C)C)[C@]2(C)C(=O)OC[C@]12C
InChIInChI=1S/C18H30O5Si/c1-11-12(9-13(19)20)14(23-24(7,8)16(2,3)4)18(6)15(21)22-10-17(11,18)5/h12,14H,1,9-10H2,2-8H3,(H,19,20)/t12?,14?,17-,18-/m1/s1
InChIKeyHZPWPYSGJKRZQY-CFSGWGOTSA-N
XLogP3.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid 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

ethyl 2-[(3aS,4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 11451881
(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3a,6a-dimethyl-6-methylidene-4,5-dihydro-1H-cyclopenta[c]furan-3-one
CID 57700939
(3aR,6aR)-5-ethyl-4-hydroxy-3a,6a-dimethyl-6-methylidene-4,5-dihydro-1H-cyclopenta[c]furan-3-one
CID 57700940
methyl 2-[(3aS,4R,5S,6aS)-4-hydroxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 57700942
methyl 2-[(3aS,4R,5S,6E,6aS)-4-hydroxy-6-(hydroxymethylidene)-3a,6a-dimethyl-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 57700945
methyl 2-[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 57700953
[(3aS,4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]methyl propanoate
CID 58682002
methyl 2-[(3aS,5S,6E,6aS)-4-hydroxy-6-(hydroxymethylidene)-3a,6a-dimethyl-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 71012987
methyl 2-[(3aS,5S,6aS)-4-hydroxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 89187348
methyl 2-[(3aR,6aR)-4-hydroxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 89187349
methyl 2-[(3aS,4S,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 91865763
ethyl 2-[(3aS,4S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetate
CID 91867436

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid?
The IUPAC name of 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid (CID 89187015) is 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid.
What is the SMILES notation for 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid?
The canonical SMILES for 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid is C=C1C(CC(=O)O)C(O[Si](C)(C)C(C)(C)C)[C@]2(C)C(=O)OC[C@]12C.
What is the InChIKey of 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid?
The InChIKey is HZPWPYSGJKRZQY-CFSGWGOTSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-11-12(9-13(19)20)14(23-24(7,8)16(2,3)4)18(6)15(21)22-10-17(11,18)5/h12,14H,1,9-10H2,2-8H3,(H,19,20)/t12?,14?,17-,18-/m1/s1.
What are the key properties of 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid?
2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid has a molecular weight of 354.52 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-3a,6a-dimethyl-6-methylidene-3-oxo-4,5-dihydro-1H-cyclopenta[c]furan-5-yl]acetic acid is sourced from PubChem (CID 89187015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).