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

C18H34O3Si — CID 72957418

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=CC(OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-10-12-18(19)13-11-14(20-16(2,3)4)15(18)21-22(8,9)17(5,6)7/h10-11,13-15,19H,1,12H2,2-9H3
InChIKeyZSRIMHMJTQMRGM-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.44
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol

5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 72957418) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID72957418
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=CC(OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-10-12-18(19)13-11-14(20-16(2,3)4)15(18)21-22(8,9)17(5,6)7/h10-11,13-15,19H,1,12H2,2-9H3
InChIKeyZSRIMHMJTQMRGM-UHFFFAOYSA-N
XLogP4.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol (CID 72957418) is 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol is C=CCC1(O)C=CC(OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is ZSRIMHMJTQMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-10-12-18(19)13-11-14(20-16(2,3)4)15(18)21-22(8,9)17(5,6)7/h10-11,13-15,19H,1,12H2,2-9H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 326.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 72957418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).