(1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol

C16H32O2Si — CID 10731816

IUPAC(1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol
SMILESCC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C16H32O2Si/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h8,12,14-15,17H,9-11H2,1-7H3/t12-,14+,15+/m0/s1
InChIKeyCIJDBEYINGOUQM-NWANDNLSSA-N
MW284.52 g/mol
LogP4.36
Rot. Bonds5

About (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol

(1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol (PubChem CID 10731816) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol
PubChem CID10731816
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol
SMILESCC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C16H32O2Si/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h8,12,14-15,17H,9-11H2,1-7H3/t12-,14+,15+/m0/s1
InChIKeyCIJDBEYINGOUQM-NWANDNLSSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.36
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

(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol
CID 5469908
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(1Z,3S,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 101049806
(Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylnon-2-en-1-ol
CID 122371221
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-2-ol
CID 134865796

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol?
The IUPAC name of (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol (CID 10731816) is (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol is CC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol?
The InChIKey is CIJDBEYINGOUQM-NWANDNLSSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h8,12,14-15,17H,9-11H2,1-7H3/t12-,14+,15+/m0/s1.
What are the key properties of (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol?
(1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol has a molecular weight of 284.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 10731816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).