4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol

C14H26O2Si — CID 57172708

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O2Si/c1-7-9-14(15)10-8-12(11-14)16-17(5,6)13(2,3)4/h7-8,10,12,15H,1,9,11H2,2-6H3
InChIKeyWLZAMMHCXADNRT-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.64
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 57172708) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID57172708
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O2Si/c1-7-9-14(15)10-8-12(11-14)16-17(5,6)13(2,3)4/h7-8,10,12,15H,1,9,11H2,2-6H3
InChIKeyWLZAMMHCXADNRT-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.64
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

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
CID 134895597
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
Rel-(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
(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopent-2-en-1-ol
CID 11345217
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohex-2-en-1-ol
CID 11514402

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol (CID 57172708) is 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol is C=CCC1(O)C=CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is WLZAMMHCXADNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-9-14(15)10-8-12(11-14)16-17(5,6)13(2,3)4/h7-8,10,12,15H,1,9,11H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 254.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 57172708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).