(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

C15H30O2Si — CID 70535856

IUPAC(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCCCCC1=CC(O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,13-14,16H,7-9,11H2,1-6H3/t13?,14-/m0/s1
InChIKeyXIUGJHNCYKMACK-KZUDCZAMSA-N
MW270.49 g/mol
LogP4.26
Rot. Bonds5

About (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 70535856) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID70535856
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCCCCC1=CC(O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,13-14,16H,7-9,11H2,1-6H3/t13?,14-/m0/s1
InChIKeyXIUGJHNCYKMACK-KZUDCZAMSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-methylene-6-octene-1,3,8-triol
CID 131752432
2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
(1R,4S)-4-((tert-Butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
CID 101412556
2-Hexylcyclopent-2-en-1-ol
CID 92074
(1R,4R)-4-((tert-Butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10878531
2-Cyclopenten-1-ol, 2-pentyl-
CID 11094851
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
CID 11359645

Frequently Asked Questions

What is the IUPAC name of (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 70535856) is (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CCCCC1=CC(O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is XIUGJHNCYKMACK-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-8-9-12-10-13(16)11-14(12)17-18(5,6)15(2,3)4/h10,13-14,16H,7-9,11H2,1-6H3/t13?,14-/m0/s1.
What are the key properties of (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
(4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 270.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 70535856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).