(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol

C25H46O2Si — CID 10645050

IUPAC(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol
SMILESCCCCCCC/C=C/C=C(C)/C=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C25H46O2Si/c1-8-9-10-11-12-13-14-15-16-21(2)17-18-22-19-23(20-24(22)26)27-28(6,7)25(3,4)5/h14-18,22-24,26H,8-13,19-20H2,1-7H3/b15-14+,18-17+,21-16+/t22-,23-,24-/m0/s1
InChIKeyQVAKAOBHYMKXCN-FDPXEKMISA-N
MW406.73 g/mol
LogP7.57
Rot. Bonds11

About (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol

(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol (PubChem CID 10645050) has the molecular formula C25H46O2Si and a molecular weight of 406.73 g/mol. Its IUPAC name is (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol
PubChem CID10645050
Molecular FormulaC25H46O2Si
Molecular Weight406.73 g/mol
Exact Mass406.33
IUPAC Name(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol
SMILESCCCCCCC/C=C/C=C(C)/C=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C25H46O2Si/c1-8-9-10-11-12-13-14-15-16-21(2)17-18-22-19-23(20-24(22)26)27-28(6,7)25(3,4)5/h14-18,22-24,26H,8-13,19-20H2,1-7H3/b15-14+,18-17+,21-16+/t22-,23-,24-/m0/s1
InChIKeyQVAKAOBHYMKXCN-FDPXEKMISA-N
XLogP7.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol 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,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
The IUPAC name of (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol (CID 10645050) is (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol is CCCCCCC/C=C/C=C(C)/C=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
The InChIKey is QVAKAOBHYMKXCN-FDPXEKMISA-N. The full InChI is InChI=1S/C25H46O2Si/c1-8-9-10-11-12-13-14-15-16-21(2)17-18-22-19-23(20-24(22)26)27-28(6,7)25(3,4)5/h14-18,22-24,26H,8-13,19-20H2,1-7H3/b15-14+,18-17+,21-16+/t22-,23-,24-/m0/s1.
What are the key properties of (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol?
(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol has a molecular weight of 406.73 g/mol, XLogP of 7.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentan-1-ol is sourced from PubChem (CID 10645050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).