(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol

C24H50O3Si2 — CID 70536701

IUPAC(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C24H50O3Si2/c1-23(2,3)28(7,8)26-17-15-13-11-12-14-16-20-18-21(19-22(20)25)27-29(9,10)24(4,5)6/h18,21-22,25H,11-17,19H2,1-10H3/t21-,22+/m1/s1
InChIKeyMLGAHSSAMKOZHQ-YADHBBJMSA-N
MW442.83 g/mol
LogP7.43
Rot. Bonds11

About (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol (PubChem CID 70536701) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
PubChem CID70536701
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Name(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C24H50O3Si2/c1-23(2,3)28(7,8)26-17-15-13-11-12-14-16-20-18-21(19-22(20)25)27-29(9,10)24(4,5)6/h18,21-22,25H,11-17,19H2,1-10H3/t21-,22+/m1/s1
InChIKeyMLGAHSSAMKOZHQ-YADHBBJMSA-N
XLogP7.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol (CID 70536701) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OCCCCCCCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol?
The InChIKey is MLGAHSSAMKOZHQ-YADHBBJMSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-23(2,3)28(7,8)26-17-15-13-11-12-14-16-20-18-21(19-22(20)25)27-29(9,10)24(4,5)6/h18,21-22,25H,11-17,19H2,1-10H3/t21-,22+/m1/s1.
What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol?
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol has a molecular weight of 442.83 g/mol, XLogP of 7.43, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 70536701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).