(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol

C19H38O2Si — CID 10947384

IUPAC(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C19H38O2Si/c1-19(2,3)22(4,5)21-15-11-9-7-6-8-10-12-17-13-14-18(20)16-17/h13-14,17-18,20H,6-12,15-16H2,1-5H3/t17-,18+/m0/s1
InChIKeyPEFPQFXQJPYLJD-ZWKOTPCHSA-N
MW326.60 g/mol
LogP5.68
Rot. Bonds10

About (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol

(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol (PubChem CID 10947384) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
PubChem CID10947384
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C19H38O2Si/c1-19(2,3)22(4,5)21-15-11-9-7-6-8-10-12-17-13-14-18(20)16-17/h13-14,17-18,20H,6-12,15-16H2,1-5H3/t17-,18+/m0/s1
InChIKeyPEFPQFXQJPYLJD-ZWKOTPCHSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 55.68
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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Related Compounds

tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
CID 175054628
2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
CID 139675795
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopropane-1-carboxylate
CID 163278309

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol (CID 10947384) is (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OCCCCCCCC[C@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol?
The InChIKey is PEFPQFXQJPYLJD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-19(2,3)22(4,5)21-15-11-9-7-6-8-10-12-17-13-14-18(20)16-17/h13-14,17-18,20H,6-12,15-16H2,1-5H3/t17-,18+/m0/s1.
What are the key properties of (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol?
(1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol has a molecular weight of 326.60 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 10947384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).