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

C16H32O2Si — CID 138969078

IUPAC(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]1(O)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-10-13(11-16(12,17)14(2,3)4)18-19(8,9)15(5,6)7/h10,13,17H,11H2,1-9H3/t13-,16-/m1/s1
InChIKeyYNGTXVRNEIDAKE-CZUORRHYSA-N
MW284.52 g/mol
LogP4.50
Rot. Bonds2

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

(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol (PubChem CID 138969078) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
PubChem CID138969078
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]1(O)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-12-10-13(11-16(12,17)14(2,3)4)18-19(8,9)15(5,6)7/h10,13,17H,11H2,1-9H3/t13-,16-/m1/s1
InChIKeyYNGTXVRNEIDAKE-CZUORRHYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.50
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

9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 14985556
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
4-(t-Butyldimethylsilyloxymethyl)-3,4-dimethyl-cyclo-pent-2-enol
CID 129825837
(1R,5S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-1-prop-2-enylcyclohex-2-en-1-ol
CID 134865794
(E,2R,3R,6R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-en-3-ol
CID 134865998
(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
CID 134965208
(3aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-3a-ol
CID 138968865
(3aR,13aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclopenta[12]annulen-3a-ol
CID 138968866
4-[Tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
CID 138970503
(4S,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-1,6,8-trien-3-ol
CID 166445259
(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
CID 11371296
2-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-7-triethylsilyloxy-5,6,10,11-tetradehydro-3,4,7,8-tetrahydro-2H-cyclopenta[10]annulen-3a-ol
CID 15233711

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol (CID 138969078) is (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]1(O)C(C)(C)C.
What is the InChIKey of (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol?
The InChIKey is YNGTXVRNEIDAKE-CZUORRHYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12-10-13(11-16(12,17)14(2,3)4)18-19(8,9)15(5,6)7/h10,13,17H,11H2,1-9H3/t13-,16-/m1/s1.
What are the key properties of (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol?
(1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 138969078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).