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

C23H46O3Si — CID 21328904

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(C)(C)C(CCC1CCC2OC(O)CC12)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si/c1-9-10-15-23(5,6)20(26-27(7,8)22(2,3)4)14-12-17-11-13-19-18(17)16-21(24)25-19/h17-21,24H,9-16H2,1-8H3
InChIKeyXSAJFIMTVOQQGD-UHFFFAOYSA-N
MW398.70 g/mol
LogP6.51
Rot. Bonds9

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

4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 21328904) has the molecular formula C23H46O3Si and a molecular weight of 398.70 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-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-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID21328904
Molecular FormulaC23H46O3Si
Molecular Weight398.70 g/mol
Exact Mass398.32
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(C)(C)C(CCC1CCC2OC(O)CC12)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si/c1-9-10-15-23(5,6)20(26-27(7,8)22(2,3)4)14-12-17-11-13-19-18(17)16-21(24)25-19/h17-21,24H,9-16H2,1-8H3
InChIKeyXSAJFIMTVOQQGD-UHFFFAOYSA-N
XLogP6.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-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-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 21328904) is 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-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-dimethyloctyl]-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-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCC(C)(C)C(CCC1CCC2OC(O)CC12)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is XSAJFIMTVOQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3Si/c1-9-10-15-23(5,6)20(26-27(7,8)22(2,3)4)14-12-17-11-13-19-18(17)16-21(24)25-19/h17-21,24H,9-16H2,1-8H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 398.70 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloctyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 21328904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).