(E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol

C32H62O3Si2 — CID 67656889

IUPAC(E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC=C[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C/CCCCO
InChIInChI=1S/C32H62O3Si2/c1-31(2,3)36(7,8)34-27-21-17-12-11-14-18-22-28-24-25-30(35-37(9,10)32(4,5)6)29(28)23-19-15-13-16-20-26-33/h15,18-19,22,24-25,28-30,33H,11-14,16-17,20-21,23,26-27H2,1-10H3/b19-15+,22-18?/t28-,29-,30-/m1/s1
InChIKeyKIAOZOCUQUSBMJ-ZZUHEJEZSA-N
MW551.02 g/mol
LogP9.82
Rot. Bonds17

About (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol

(E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol (PubChem CID 67656889) has the molecular formula C32H62O3Si2 and a molecular weight of 551.02 g/mol. Its IUPAC name is (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol.

Molecular Properties

Compound Name(E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
PubChem CID67656889
Molecular FormulaC32H62O3Si2
Molecular Weight551.02 g/mol
Exact Mass550.42
IUPAC Name(E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC=C[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C/CCCCO
InChIInChI=1S/C32H62O3Si2/c1-31(2,3)36(7,8)34-27-21-17-12-11-14-18-22-28-24-25-30(35-37(9,10)32(4,5)6)29(28)23-19-15-13-16-20-26-33/h15,18-19,22,24-25,28-30,33H,11-14,16-17,20-21,23,26-27H2,1-10H3/b19-15+,22-18?/t28-,29-,30-/m1/s1
InChIKeyKIAOZOCUQUSBMJ-ZZUHEJEZSA-N
XLogP9.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.02
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
3-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]propan-1-ol
CID 12132314
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
(2R,3S,4S,5E,7E,9R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,9-trimethyltrideca-5,7-dien-1-ol
CID 134848525
(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
(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
Cyclohexanemethanol, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-alpha-1-propen-1-yl-
CID 6442723
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-en-6-ol
CID 10251138
(1S,4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-ol
CID 10614051

Frequently Asked Questions

What is the IUPAC name of (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The IUPAC name of (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol (CID 67656889) is (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol.
What is the SMILES notation for (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The canonical SMILES for (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol is CC(C)(C)[Si](C)(C)OCCCCCCC=C[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C/CCCCO.
What is the InChIKey of (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The InChIKey is KIAOZOCUQUSBMJ-ZZUHEJEZSA-N. The full InChI is InChI=1S/C32H62O3Si2/c1-31(2,3)36(7,8)34-27-21-17-12-11-14-18-22-28-24-25-30(35-37(9,10)32(4,5)6)29(28)23-19-15-13-16-20-26-33/h15,18-19,22,24-25,28-30,33H,11-14,16-17,20-21,23,26-27H2,1-10H3/b19-15+,22-18?/t28-,29-,30-/m1/s1.
What are the key properties of (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
(E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol has a molecular weight of 551.02 g/mol, XLogP of 9.82, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[(1R,2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol is sourced from PubChem (CID 67656889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).