(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol

C23H36O6Si — CID 159062981

IUPAC(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
SMILESC=CCOC1OCC2C[C@@H](O)C([Si](C)(C)C)=C21.C=CCOC1OCC2C[C@@H](O)C=C21
InChIInChI=1S/C13H22O3Si.C10H14O3/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4;1-2-3-12-10-9-5-8(11)4-7(9)6-13-10/h5,9-10,13-14H,1,6-8H2,2-4H3;2,5,7-8,10-11H,1,3-4,6H2/t9?,10-,13?;7?,8-,10?/m11/s1
InChIKeyJYRZCAZTVSPAAH-AIKXFXTPSA-N
MW436.62 g/mol
LogP2.95
Rot. Bonds7

About (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol

(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol (PubChem CID 159062981) has the molecular formula C23H36O6Si and a molecular weight of 436.62 g/mol. Its IUPAC name is (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol.

Molecular Properties

Compound Name(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
PubChem CID159062981
Molecular FormulaC23H36O6Si
Molecular Weight436.62 g/mol
Exact Mass436.23
IUPAC Name(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol
SMILESC=CCOC1OCC2C[C@@H](O)C([Si](C)(C)C)=C21.C=CCOC1OCC2C[C@@H](O)C=C21
InChIInChI=1S/C13H22O3Si.C10H14O3/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4;1-2-3-12-10-9-5-8(11)4-7(9)6-13-10/h5,9-10,13-14H,1,6-8H2,2-4H3;2,5,7-8,10-11H,1,3-4,6H2/t9?,10-,13?;7?,8-,10?/m11/s1
InChIKeyJYRZCAZTVSPAAH-AIKXFXTPSA-N
XLogP2.95
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
The IUPAC name of (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol (CID 159062981) is (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol.
What is the SMILES notation for (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
The canonical SMILES for (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol is C=CCOC1OCC2C[C@@H](O)C([Si](C)(C)C)=C21.C=CCOC1OCC2C[C@@H](O)C=C21.
What is the InChIKey of (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
The InChIKey is JYRZCAZTVSPAAH-AIKXFXTPSA-N. The full InChI is InChI=1S/C13H22O3Si.C10H14O3/c1-5-6-15-13-11-9(8-16-13)7-10(14)12(11)17(2,3)4;1-2-3-12-10-9-5-8(11)4-7(9)6-13-10/h5,9-10,13-14H,1,6-8H2,2-4H3;2,5,7-8,10-11H,1,3-4,6H2/t9?,10-,13?;7?,8-,10?/m11/s1.
What are the key properties of (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol?
(5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol has a molecular weight of 436.62 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-prop-2-enoxy-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol;(5R)-3-prop-2-enoxy-4-trimethylsilyl-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-ol is sourced from PubChem (CID 159062981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).