(1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol

C23H45IO3Si3 — CID 15406300

IUPAC(1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)[C@@](O[Si](C)(C)C(C)(C)C)([C@H](O)C#C[Si](C)(C)C)C1
InChIInChI=1S/C23H45IO3Si3/c1-21(2,3)29(10,11)26-18-16-19(24)23(17-18,20(25)14-15-28(7,8)9)27-30(12,13)22(4,5)6/h16,18,20,25H,17H2,1-13H3/t18-,20-,23-/m1/s1
InChIKeyFAYVRTYCRAJOHY-KKLQWCBXSA-N
MW580.77 g/mol
LogP7.10
Rot. Bonds5

About (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol

(1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 15406300) has the molecular formula C23H45IO3Si3 and a molecular weight of 580.77 g/mol. Its IUPAC name is (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID15406300
Molecular FormulaC23H45IO3Si3
Molecular Weight580.77 g/mol
Exact Mass580.17
IUPAC Name(1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)[C@@](O[Si](C)(C)C(C)(C)C)([C@H](O)C#C[Si](C)(C)C)C1
InChIInChI=1S/C23H45IO3Si3/c1-21(2,3)29(10,11)26-18-16-19(24)23(17-18,20(25)14-15-28(7,8)9)27-30(12,13)22(4,5)6/h16,18,20,25H,17H2,1-13H3/t18-,20-,23-/m1/s1
InChIKeyFAYVRTYCRAJOHY-KKLQWCBXSA-N
XLogP7.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.77
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-2-iodocyclopent-2-en-1-ol
CID 134972897
(1S,2R,6Z)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-12a-trimethylsilyloxy-4,5,10,11-tetradehydro-2,8,9,12-tetrahydro-1H-cyclopenta[11]annulen-9-ol
CID 139616252
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-prop-2-ynyl-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 11016297
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(1R)-1-hydroxyprop-2-ynyl]-2-iodocyclopent-2-en-1-ol
CID 11153610
tert-butyl-[(1S,4R)-3-iodo-4-trimethylsilyloxy-4-(3-trimethylsilylprop-2-ynyl)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11156702
triethyl-[(1R,4S)-1-(3-iodoprop-2-ynyl)-4-triethylsilyloxycyclopent-2-en-1-yl]oxysilane
CID 11214048
(1S)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 15406299
(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-iodocyclopent-4-ene-1,3-diol
CID 101113903
(2R,3S,3aS,7Z)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6,9,10-tetradehydro-3,4-dihydro-2H-cyclopenta[9]annulen-3a-ol
CID 101705009

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 15406300) is (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)[C@@](O[Si](C)(C)C(C)(C)C)([C@H](O)C#C[Si](C)(C)C)C1.
What is the InChIKey of (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is FAYVRTYCRAJOHY-KKLQWCBXSA-N. The full InChI is InChI=1S/C23H45IO3Si3/c1-21(2,3)29(10,11)26-18-16-19(24)23(17-18,20(25)14-15-28(7,8)9)27-30(12,13)22(4,5)6/h16,18,20,25H,17H2,1-13H3/t18-,20-,23-/m1/s1.
What are the key properties of (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
(1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 580.77 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 15406300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).