(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol

C16H32O3Si — CID 15609446

IUPAC(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)OC[C@]1(O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-14(2,3)18-12-16(17)10-9-13(11-16)19-20(7,8)15(4,5)6/h9-10,13,17H,11-12H2,1-8H3/t13-,16-/m0/s1
InChIKeyNBLFURHPYWFTAY-BBRMVZONSA-N
MW300.52 g/mol
LogP3.88
Rot. Bonds4

About (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol

(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol (PubChem CID 15609446) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol
PubChem CID15609446
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)OC[C@]1(O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-14(2,3)18-12-16(17)10-9-13(11-16)19-20(7,8)15(4,5)6/h9-10,13,17H,11-12H2,1-8H3/t13-,16-/m0/s1
InChIKeyNBLFURHPYWFTAY-BBRMVZONSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.88
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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Related Compounds

(E,1R)-1-[(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 44466532
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-4-en-3-ol
CID 53329570
(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100012
(E,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 59100052
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 72957418
(1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
CID 91128689
(+)-(6aR,9S,9aR)-2,2,4,4-Tetraisopropyl-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxad-isilocin-9-ol
CID 131735542
(6aR,9R)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol
CID 140714180
(E,4S,7R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-7,9-dimethyldec-5-ene-1,2,4-triol
CID 10043267
(1R,4S)-1-methyl-4-tributylsilyloxycyclopent-2-en-1-ol
CID 10957954
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-1-prop-2-enylcyclopent-2-en-1-ol
CID 11427375
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol
CID 15609445

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol (CID 15609446) is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol is CC(C)(C)OC[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-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol?
The InChIKey is NBLFURHPYWFTAY-BBRMVZONSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-14(2,3)18-12-16(17)10-9-13(11-16)19-20(7,8)15(4,5)6/h9-10,13,17H,11-12H2,1-8H3/t13-,16-/m0/s1.
What are the key properties of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol?
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol has a molecular weight of 300.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 15609446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).