(1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol

C17H35IO3Si2 — CID 10885183

IUPAC(1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C(I)[C@H]1O
InChIInChI=1S/C17H35IO3Si2/c1-16(2,3)22(7,8)20-13-11-12(18)14(19)15(13)21-23(9,10)17(4,5)6/h11,13-15,19H,1-10H3/t13-,14+,15+/m0/s1
InChIKeyXCSHKIIMTHKHND-RRFJBIMHSA-N
MW470.54 g/mol
LogP5.46
Rot. Bonds4

About (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol

(1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol (PubChem CID 10885183) has the molecular formula C17H35IO3Si2 and a molecular weight of 470.54 g/mol. Its IUPAC name is (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol
PubChem CID10885183
Molecular FormulaC17H35IO3Si2
Molecular Weight470.54 g/mol
Exact Mass470.12
IUPAC Name(1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C(I)[C@H]1O
InChIInChI=1S/C17H35IO3Si2/c1-16(2,3)22(7,8)20-13-11-12(18)14(19)15(13)21-23(9,10)17(4,5)6/h11,13-15,19H,1-10H3/t13-,14+,15+/m0/s1
InChIKeyXCSHKIIMTHKHND-RRFJBIMHSA-N
XLogP5.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 55.46
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'}

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Related Compounds

(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
CID 11455339
(E,2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhex-4-en-2-ol
CID 15182176
(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
CID 53474127
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-en-1-ol
CID 102050109
(2S,7R)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyldeca-4,8-diene-2,7-diol
CID 123540959
(E,2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hex-4-en-1-ol
CID 134865662
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 134967812
(1R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-2-iodocyclopent-2-en-1-ol
CID 134972897
(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol
CID 139249221
(E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 139249866
(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 58012745

Frequently Asked Questions

What is the IUPAC name of (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol?
The IUPAC name of (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol (CID 10885183) is (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C(I)[C@H]1O.
What is the InChIKey of (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol?
The InChIKey is XCSHKIIMTHKHND-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H35IO3Si2/c1-16(2,3)22(7,8)20-13-11-12(18)14(19)15(13)21-23(9,10)17(4,5)6/h11,13-15,19H,1-10H3/t13-,14+,15+/m0/s1.
What are the key properties of (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol?
(1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol has a molecular weight of 470.54 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-en-1-ol is sourced from PubChem (CID 10885183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).