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

C32H62O3Si2 — CID 67657694

IUPAC(E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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@@]1(O[Si](C)(C)C(C)(C)C)C=CC[C@H]1C/C=C/CCCCO
InChIInChI=1S/C32H62O3Si2/c1-30(2,3)36(7,8)34-28-21-17-12-11-15-19-25-32(35-37(9,10)31(4,5)6)26-22-24-29(32)23-18-14-13-16-20-27-33/h14,18-19,22,25-26,29,33H,11-13,15-17,20-21,23-24,27-28H2,1-10H3/b18-14+,25-19?/t29-,32-/m1/s1
InChIKeyVTQFCBLSWOYMCS-REDBJDGCSA-N
MW551.02 g/mol
LogP9.96
Rot. Bonds17

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

(E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol (PubChem CID 67657694) has the molecular formula C32H62O3Si2 and a molecular weight of 551.02 g/mol. Its IUPAC name is (E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
PubChem CID67657694
Molecular FormulaC32H62O3Si2
Molecular Weight551.02 g/mol
Exact Mass550.42
IUPAC Name(E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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@@]1(O[Si](C)(C)C(C)(C)C)C=CC[C@H]1C/C=C/CCCCO
InChIInChI=1S/C32H62O3Si2/c1-30(2,3)36(7,8)34-28-21-17-12-11-15-19-25-32(35-37(9,10)31(4,5)6)26-22-24-29(32)23-18-14-13-16-20-27-33/h14,18-19,22,25-26,29,33H,11-13,15-17,20-21,23-24,27-28H2,1-10H3/b18-14+,25-19?/t29-,32-/m1/s1
InChIKeyVTQFCBLSWOYMCS-REDBJDGCSA-N
XLogP9.96
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 ≤ 59.96
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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Frequently Asked Questions

What is the IUPAC name of (E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol (CID 67657694) is (E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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@@]1(O[Si](C)(C)C(C)(C)C)C=CC[C@H]1C/C=C/CCCCO.
What is the InChIKey of (E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The InChIKey is VTQFCBLSWOYMCS-REDBJDGCSA-N. The full InChI is InChI=1S/C32H62O3Si2/c1-30(2,3)36(7,8)34-28-21-17-12-11-15-19-25-32(35-37(9,10)31(4,5)6)26-22-24-29(32)23-18-14-13-16-20-27-33/h14,18-19,22,25-26,29,33H,11-13,15-17,20-21,23-24,27-28H2,1-10H3/b18-14+,25-19?/t29-,32-/m1/s1.
What are the key properties of (E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
(E)-7-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[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 9.96, 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)-2-[tert-butyl(dimethyl)silyl]oxy-2-[8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol is sourced from PubChem (CID 67657694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).