(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one

C19H34O4Si2 — CID 70596280

IUPAC(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C)CC1=O
InChIInChI=1S/C19H34O4Si2/c1-24(2,3)22-15-17(20)12-10-8-7-9-11-16-13-18(14-19(16)21)23-25(4,5)6/h7,9,13,18H,8,10-12,14-15H2,1-6H3/b9-7-/t18-/m0/s1
InChIKeyMWYKUTGKMACANY-CNRGFGOASA-N
MW382.65 g/mol
LogP4.64
Rot. Bonds11

About (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one

(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one (PubChem CID 70596280) has the molecular formula C19H34O4Si2 and a molecular weight of 382.65 g/mol. Its IUPAC name is (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
PubChem CID70596280
Molecular FormulaC19H34O4Si2
Molecular Weight382.65 g/mol
Exact Mass382.20
IUPAC Name(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
SMILESC[Si](C)(C)OCC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C)CC1=O
InChIInChI=1S/C19H34O4Si2/c1-24(2,3)22-15-17(20)12-10-8-7-9-11-16-13-18(14-19(16)21)23-25(4,5)6/h7,9,13,18H,8,10-12,14-15H2,1-6H3/b9-7-/t18-/m0/s1
InChIKeyMWYKUTGKMACANY-CNRGFGOASA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.65
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one?
The IUPAC name of (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one (CID 70596280) is (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one is C[Si](C)(C)OCC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C)CC1=O.
What is the InChIKey of (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one?
The InChIKey is MWYKUTGKMACANY-CNRGFGOASA-N. The full InChI is InChI=1S/C19H34O4Si2/c1-24(2,3)22-15-17(20)12-10-8-7-9-11-16-13-18(14-19(16)21)23-25(4,5)6/h7,9,13,18H,8,10-12,14-15H2,1-6H3/b9-7-/t18-/m0/s1.
What are the key properties of (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one?
(4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one has a molecular weight of 382.65 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one is sourced from PubChem (CID 70596280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).