4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C26H48F2O5Si — CID 18426958

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)(F)C(CCC1C(OC2CCCCO2)CC2OC(O)CC21)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48F2O5Si/c1-7-8-14-26(27,28)22(33-34(5,6)25(2,3)4)13-12-18-19-16-23(29)31-21(19)17-20(18)32-24-11-9-10-15-30-24/h18-24,29H,7-17H2,1-6H3
InChIKeyAHMLRRZAVJSWFL-UHFFFAOYSA-N
MW506.75 g/mol
LogP6.64
Rot. Bonds11

About 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 18426958) has the molecular formula C26H48F2O5Si and a molecular weight of 506.75 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID18426958
Molecular FormulaC26H48F2O5Si
Molecular Weight506.75 g/mol
Exact Mass506.32
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)(F)C(CCC1C(OC2CCCCO2)CC2OC(O)CC21)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48F2O5Si/c1-7-8-14-26(27,28)22(33-34(5,6)25(2,3)4)13-12-18-19-16-23(29)31-21(19)17-20(18)32-24-11-9-10-15-30-24/h18-24,29H,7-17H2,1-6H3
InChIKeyAHMLRRZAVJSWFL-UHFFFAOYSA-N
XLogP6.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.75
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 18426958) is 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCC(F)(F)C(CCC1C(OC2CCCCO2)CC2OC(O)CC21)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is AHMLRRZAVJSWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48F2O5Si/c1-7-8-14-26(27,28)22(33-34(5,6)25(2,3)4)13-12-18-19-16-23(29)31-21(19)17-20(18)32-24-11-9-10-15-30-24/h18-24,29H,7-17H2,1-6H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 506.75 g/mol, XLogP of 6.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-difluorooctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 18426958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).