(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol

C21H38O3Si — CID 154706979

IUPAC(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol
SMILESC=CC[C@@H](CC1=CCC[C@@]1(O)C(=C)CCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C21H38O3Si/c1-9-11-19(23-6)16-18-12-10-14-21(18,22)17(2)13-15-24-25(7,8)20(3,4)5/h9,12,19,22H,1-2,10-11,13-16H2,3-8H3/t19-,21+/m0/s1
InChIKeyHFGNVKRIUDRXSR-PZJWPPBQSA-N
MW366.62 g/mol
LogP5.39
Rot. Bonds10

About (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol

(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol (PubChem CID 154706979) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol
PubChem CID154706979
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol
SMILESC=CC[C@@H](CC1=CCC[C@@]1(O)C(=C)CCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C21H38O3Si/c1-9-11-19(23-6)16-18-12-10-14-21(18,22)17(2)13-15-24-25(7,8)20(3,4)5/h9,12,19,22H,1-2,10-11,13-16H2,3-8H3/t19-,21+/m0/s1
InChIKeyHFGNVKRIUDRXSR-PZJWPPBQSA-N
XLogP5.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(2R,5Z,9S)-9-[tert-butyl(dimethyl)silyl]oxybicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-ol
CID 11809209
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010
(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
trans-(1S,2S)-1-(cyclopenten-1-yl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 134931231
(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
(3aR,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4,5,6,7,8,8a-hexahydro-1H-azulen-3a-ol
CID 138971034
(1R,7S)-1-but-3-enyl-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohept-2-en-1-ol
CID 139255317
(1E,3Z,5R,6R,7R)-6-hydroxy-4,5-dimethyl-7-phenylocta-1,3-dien-1-yl dimethylcarbamate
CID 145997834
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol?
The IUPAC name of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol (CID 154706979) is (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol is C=CC[C@@H](CC1=CCC[C@@]1(O)C(=C)CCO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol?
The InChIKey is HFGNVKRIUDRXSR-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-9-11-19(23-6)16-18-12-10-14-21(18,22)17(2)13-15-24-25(7,8)20(3,4)5/h9,12,19,22H,1-2,10-11,13-16H2,3-8H3/t19-,21+/m0/s1.
What are the key properties of (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol?
(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol has a molecular weight of 366.62 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]-2-[(2S)-2-methoxypent-4-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 154706979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).