1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol

C20H38O4Si — CID 164674792

IUPAC1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol
SMILESCCOC1C[C@@H]2[C@@H](CCC3(O)CC3)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2O1
InChIInChI=1S/C20H38O4Si/c1-7-22-18-12-15-14(8-9-20(21)10-11-20)17(13-16(15)23-18)24-25(5,6)19(2,3)4/h14-18,21H,7-13H2,1-6H3/t14-,15-,16+,17+,18?/m1/s1
InChIKeyOUDIQVRRXUVPAJ-LPNAZMDGSA-N
MW370.61 g/mol
LogP4.47
Rot. Bonds7

About 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol

1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol (PubChem CID 164674792) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol
PubChem CID164674792
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol
SMILESCCOC1C[C@@H]2[C@@H](CCC3(O)CC3)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2O1
InChIInChI=1S/C20H38O4Si/c1-7-22-18-12-15-14(8-9-20(21)10-11-20)17(13-16(15)23-18)24-25(5,6)19(2,3)4/h14-18,21H,7-13H2,1-6H3/t14-,15-,16+,17+,18?/m1/s1
InChIKeyOUDIQVRRXUVPAJ-LPNAZMDGSA-N
XLogP4.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol (CID 164674792) is 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol is CCOC1C[C@@H]2[C@@H](CCC3(O)CC3)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2O1.
What is the InChIKey of 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol?
The InChIKey is OUDIQVRRXUVPAJ-LPNAZMDGSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-7-22-18-12-15-14(8-9-20(21)10-11-20)17(13-16(15)23-18)24-25(5,6)19(2,3)4/h14-18,21H,7-13H2,1-6H3/t14-,15-,16+,17+,18?/m1/s1.
What are the key properties of 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol?
1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol has a molecular weight of 370.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol is sourced from PubChem (CID 164674792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).