(1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde

C26H48O3Si — CID 10906247

IUPAC(1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde
SMILESC/C(=C\C[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]1C=O)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O3Si/c1-20(12-11-13-21(2)19-29-30(9,10)24(3,4)5)14-16-26(8)17-15-22(23(26)18-27)25(6,7)28/h13-14,18,22-23,28H,11-12,15-17,19H2,1-10H3/b20-14+,21-13+/t22-,23+,26+/m1/s1
InChIKeyVFKQBLITKGLZNN-CSKIFRBJSA-N
MW436.75 g/mol
LogP7.07
Rot. Bonds10

About (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde

(1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde (PubChem CID 10906247) has the molecular formula C26H48O3Si and a molecular weight of 436.75 g/mol. Its IUPAC name is (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde
PubChem CID10906247
Molecular FormulaC26H48O3Si
Molecular Weight436.75 g/mol
Exact Mass436.34
IUPAC Name(1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde
SMILESC/C(=C\C[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]1C=O)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O3Si/c1-20(12-11-13-21(2)19-29-30(9,10)24(3,4)5)14-16-26(8)17-15-22(23(26)18-27)25(6,7)28/h13-14,18,22-23,28H,11-12,15-17,19H2,1-10H3/b20-14+,21-13+/t22-,23+,26+/m1/s1
InChIKeyVFKQBLITKGLZNN-CSKIFRBJSA-N
XLogP7.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.75
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde?
The IUPAC name of (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde (CID 10906247) is (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde.
What is the SMILES notation for (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde?
The canonical SMILES for (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde is C/C(=C\C[C@@]1(C)CC[C@@H](C(C)(C)O)[C@@H]1C=O)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde?
The InChIKey is VFKQBLITKGLZNN-CSKIFRBJSA-N. The full InChI is InChI=1S/C26H48O3Si/c1-20(12-11-13-21(2)19-29-30(9,10)24(3,4)5)14-16-26(8)17-15-22(23(26)18-27)25(6,7)28/h13-14,18,22-23,28H,11-12,15-17,19H2,1-10H3/b20-14+,21-13+/t22-,23+,26+/m1/s1.
What are the key properties of (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde?
(1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde has a molecular weight of 436.75 g/mol, XLogP of 7.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl]-5-(2-hydroxypropan-2-yl)-2-methylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 10906247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).