[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane

C32H65IO5Si3 — CID 101207679

IUPAC[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane
SMILESCCOC(CI)O[C@@H]1C=C[C@H](O[Si](/C=C/[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C32H65IO5Si3/c1-16-34-30(24-33)36-28-17-18-29(23-28)38-41(25(2)3,26(4)5)22-20-27(37-40(14,15)32(9,10)11)19-21-35-39(12,13)31(6,7)8/h17-18,20,22,25-30H,16,19,21,23-24H2,1-15H3/b22-20+/t27-,28+,29-,30?/m0/s1
InChIKeyBQMNKSMKEZXZQT-KGQBXZJFSA-N
MW741.03 g/mol
LogP10.18
Rot. Bonds17

About [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane

[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane (PubChem CID 101207679) has the molecular formula C32H65IO5Si3 and a molecular weight of 741.03 g/mol. Its IUPAC name is [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane
PubChem CID101207679
Molecular FormulaC32H65IO5Si3
Molecular Weight741.03 g/mol
Exact Mass740.32
IUPAC Name[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane
SMILESCCOC(CI)O[C@@H]1C=C[C@H](O[Si](/C=C/[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C32H65IO5Si3/c1-16-34-30(24-33)36-28-17-18-29(23-28)38-41(25(2)3,26(4)5)22-20-27(37-40(14,15)32(9,10)11)19-21-35-39(12,13)31(6,7)8/h17-18,20,22,25-30H,16,19,21,23-24H2,1-15H3/b22-20+/t27-,28+,29-,30?/m0/s1
InChIKeyBQMNKSMKEZXZQT-KGQBXZJFSA-N
XLogP10.18
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.03
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane?
The IUPAC name of [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane (CID 101207679) is [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane.
What is the SMILES notation for [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane?
The canonical SMILES for [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane is CCOC(CI)O[C@@H]1C=C[C@H](O[Si](/C=C/[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane?
The InChIKey is BQMNKSMKEZXZQT-KGQBXZJFSA-N. The full InChI is InChI=1S/C32H65IO5Si3/c1-16-34-30(24-33)36-28-17-18-29(23-28)38-41(25(2)3,26(4)5)22-20-27(37-40(14,15)32(9,10)11)19-21-35-39(12,13)31(6,7)8/h17-18,20,22,25-30H,16,19,21,23-24H2,1-15H3/b22-20+/t27-,28+,29-,30?/m0/s1.
What are the key properties of [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane?
[(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane has a molecular weight of 741.03 g/mol, XLogP of 10.18, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-enyl]-[(1R,4S)-4-(1-ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl]oxy-di(propan-2-yl)silane is sourced from PubChem (CID 101207679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).