(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol

C13H24O2Si — CID 11746757

IUPAC(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
SMILESC=C[C@@]1(O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-7-13(14)9-8-11(10-13)15-16(5,6)12(2,3)4/h7-9,11,14H,1,10H2,2-6H3/t11-,13+/m0/s1
InChIKeyZEGOREZOBIAXFY-WCQYABFASA-N
MW240.42 g/mol
LogP3.25
Rot. Bonds3

About (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol

(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol (PubChem CID 11746757) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
PubChem CID11746757
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol
SMILESC=C[C@@]1(O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-7-13(14)9-8-11(10-13)15-16(5,6)12(2,3)4/h7-9,11,14H,1,10H2,2-6H3/t11-,13+/m0/s1
InChIKeyZEGOREZOBIAXFY-WCQYABFASA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.25
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
(3aR,5S,6R,7aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-7a-methyl-4,5,6,7-tetrahydro-3H-inden-3a-ol
CID 102439939
[3-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)cyclopentyl]methanol
CID 140956891
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
(1S,2R,4S,8R)-8-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2-ethenyl-1-methylbicyclo[2.2.2]oct-5-en-2-ol
CID 10893855
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
(1S,3S,4R,5S,7S,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dioxatricyclo[3.3.1.13,7]decane-1,3-diol
CID 139060551

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol (CID 11746757) is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol is C=C[C@@]1(O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
The InChIKey is ZEGOREZOBIAXFY-WCQYABFASA-N. The full InChI is InChI=1S/C13H24O2Si/c1-7-13(14)9-8-11(10-13)15-16(5,6)12(2,3)4/h7-9,11,14H,1,10H2,2-6H3/t11-,13+/m0/s1.
What are the key properties of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol?
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol has a molecular weight of 240.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclopent-2-en-1-ol is sourced from PubChem (CID 11746757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).