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

C13H26O2Si — CID 135010059

IUPAC[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C13H26O2Si/c1-10-7-12(8-11(10)9-14)15-16(5,6)13(2,3)4/h7,11-12,14H,8-9H2,1-6H3/t11-,12-/m1/s1
InChIKeyJHCGAENJPMLFQQ-VXGBXAGGSA-N
MW242.43 g/mol
LogP3.34
Rot. Bonds3

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

[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol (PubChem CID 135010059) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
PubChem CID135010059
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C13H26O2Si/c1-10-7-12(8-11(10)9-14)15-16(5,6)13(2,3)4/h7,11-12,14H,8-9H2,1-6H3/t11-,12-/m1/s1
InChIKeyJHCGAENJPMLFQQ-VXGBXAGGSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
CID 134895597
(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(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
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(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,5R)-5-methyl-2-(1-trimethylsilylethenyl)cyclopent-2-en-1-ol
CID 72793131

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol (CID 135010059) is [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO.
What is the InChIKey of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol?
The InChIKey is JHCGAENJPMLFQQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10-7-12(8-11(10)9-14)15-16(5,6)13(2,3)4/h7,11-12,14H,8-9H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of [(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol?
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol has a molecular weight of 242.43 g/mol, XLogP of 3.34, 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-methylcyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 135010059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).