(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol

C19H36O2Si — CID 11782315

IUPAC(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
SMILESCCCCC[C@@H](/C=C/[C@@H]1C=C[C@@H](O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-9-10-18(21-22(5,6)19(2,3)4)14-12-16-11-13-17(20)15-16/h11-14,16-18,20H,7-10,15H2,1-6H3/b14-12+/t16-,17+,18-/m0/s1
InChIKeyZGXVDEPFNHLRGU-JYYURTCRSA-N
MW324.58 g/mol
LogP5.45
Rot. Bonds8

About (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol

(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol (PubChem CID 11782315) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
PubChem CID11782315
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
SMILESCCCCC[C@@H](/C=C/[C@@H]1C=C[C@@H](O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-7-8-9-10-18(21-22(5,6)19(2,3)4)14-12-16-11-13-17(20)15-16/h11-14,16-18,20H,7-10,15H2,1-6H3/b14-12+/t16-,17+,18-/m0/s1
InChIKeyZGXVDEPFNHLRGU-JYYURTCRSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.45
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol (CID 11782315) is (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol is CCCCC[C@@H](/C=C/[C@@H]1C=C[C@@H](O)C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol?
The InChIKey is ZGXVDEPFNHLRGU-JYYURTCRSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-7-8-9-10-18(21-22(5,6)19(2,3)4)14-12-16-11-13-17(20)15-16/h11-14,16-18,20H,7-10,15H2,1-6H3/b14-12+/t16-,17+,18-/m0/s1.
What are the key properties of (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol?
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol has a molecular weight of 324.58 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 11782315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).