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

C15H28O2Si — CID 57153596

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C15H28O2Si/c1-8-9-12-10-13(11-15(12,5)16)17-18(6,7)14(2,3)4/h8,10,13,16H,1,9,11H2,2-7H3
InChIKeyCVPHSXJEPRGXRH-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.03
Rot. Bonds4

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

4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 57153596) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
PubChem CID57153596
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C15H28O2Si/c1-8-9-12-10-13(11-15(12,5)16)17-18(6,7)14(2,3)4/h8,10,13,16H,1,9,11H2,2-7H3
InChIKeyCVPHSXJEPRGXRH-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.03
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-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(1R,3S)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 11367813
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(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
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-ethylcyclohex-2-en-1-ol
CID 12166123
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
(1R,3R)-1-(3-trimethylsilylprop-2-ynyl)cyclopent-4-ene-1,3-diol
CID 102380786
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
CID 134865794

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol (CID 57153596) is 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol is C=CCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(C)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is CVPHSXJEPRGXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-9-12-10-13(11-15(12,5)16)17-18(6,7)14(2,3)4/h8,10,13,16H,1,9,11H2,2-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 268.47 g/mol, XLogP of 4.03, 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-methyl-2-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 57153596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).