[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol

C12H23IO2Si — CID 102247057

IUPAC[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)[C@H](CO)C1
InChIInChI=1S/C12H23IO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-14)11(13)7-10/h7,9-10,14H,6,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyPGPPRCYNFBASBZ-UWVGGRQHSA-N
MW354.30 g/mol
LogP3.71
Rot. Bonds3

About [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol

[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol (PubChem CID 102247057) has the molecular formula C12H23IO2Si and a molecular weight of 354.30 g/mol. Its IUPAC name is [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
PubChem CID102247057
Molecular FormulaC12H23IO2Si
Molecular Weight354.30 g/mol
Exact Mass354.05
IUPAC Name[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)[C@H](CO)C1
InChIInChI=1S/C12H23IO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-14)11(13)7-10/h7,9-10,14H,6,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyPGPPRCYNFBASBZ-UWVGGRQHSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
CID 134895597
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-ol
CID 17755058
(1R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-iodo-6-methylcyclohex-2-en-1-ol
CID 53388758
(1E,4R,5R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylnona-1,7-dien-4-ol
CID 60153332
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 134967812
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
CID 135010059
(1R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopent-2-en-1-ol
CID 11276665
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
CID 11164051
(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-en-1-ol
CID 58139584
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 68854204

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol (CID 102247057) is [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(I)[C@H](CO)C1.
What is the InChIKey of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol?
The InChIKey is PGPPRCYNFBASBZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23IO2Si/c1-12(2,3)16(4,5)15-10-6-9(8-14)11(13)7-10/h7,9-10,14H,6,8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol?
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol has a molecular weight of 354.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 102247057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).