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

C32H62O3Si2 — CID 67703804

IUPAC7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-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)C1CCCCCC=CO
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/h18,20,22,24-26,28-30,33H,11-17,19,21,23,27H2,1-10H3/t28-,29?,30-/m1/s1
InChIKeyPFFJSUXSLPFSBL-PRASYNANSA-N
MW551.02 g/mol
LogP10.73
Rot. Bonds17

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

7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol (PubChem CID 67703804) has the molecular formula C32H62O3Si2 and a molecular weight of 551.02 g/mol. Its IUPAC name is 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol.

Molecular Properties

Compound Name7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol
PubChem CID67703804
Molecular FormulaC32H62O3Si2
Molecular Weight551.02 g/mol
Exact Mass550.42
IUPAC Name7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-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)C1CCCCCC=CO
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/h18,20,22,24-26,28-30,33H,11-17,19,21,23,27H2,1-10H3/t28-,29?,30-/m1/s1
InChIKeyPFFJSUXSLPFSBL-PRASYNANSA-N
XLogP10.73
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 ≤ 510.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol?
The IUPAC name of 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol (CID 67703804) is 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol.
What is the SMILES notation for 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol?
The canonical SMILES for 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-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)C1CCCCCC=CO.
What is the InChIKey of 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol?
The InChIKey is PFFJSUXSLPFSBL-PRASYNANSA-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/h18,20,22,24-26,28-30,33H,11-17,19,21,23,27H2,1-10H3/t28-,29?,30-/m1/s1.
What are the key properties of 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol?
7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol has a molecular weight of 551.02 g/mol, XLogP of 10.73, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-1-en-1-ol is sourced from PubChem (CID 67703804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).