4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

C21H34O4Si — CID 10643394

IUPAC4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESCOC1=C(OC)C(O)(C#CC(C[C@H](C)CCC=C(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C21H34O4Si/c1-15(2)10-9-11-16(3)14-17(26(6,7)8)12-13-21(23)19(22)18(24-4)20(21)25-5/h10,16-17,23H,9,11,14H2,1-8H3/t16-,17?,21?/m1/s1
InChIKeyBLZFKYAJATWAJA-ZGGTZUKQSA-N
MW378.59 g/mol
LogP4.29
Rot. Bonds8

About 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (PubChem CID 10643394) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
PubChem CID10643394
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Name4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESCOC1=C(OC)C(O)(C#CC(C[C@H](C)CCC=C(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C21H34O4Si/c1-15(2)10-9-11-16(3)14-17(26(6,7)8)12-13-21(23)19(22)18(24-4)20(21)25-5/h10,16-17,23H,9,11,14H2,1-8H3/t16-,17?,21?/m1/s1
InChIKeyBLZFKYAJATWAJA-ZGGTZUKQSA-N
XLogP4.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5R)-5,9-dimethyldeca-1,2,8-trienyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10780988
4-Hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 15701463
4-Hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10550181
4-Hydroxy-2,3-dimethoxy-4-(5-methyl-1-trimethylsilylhexa-3,4-dien-1-yn-3-yl)cyclobut-2-en-1-one
CID 10590797
4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10713836

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The IUPAC name of 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (CID 10643394) is 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.
What is the SMILES notation for 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The canonical SMILES for 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is COC1=C(OC)C(O)(C#CC(C[C@H](C)CCC=C(C)C)[Si](C)(C)C)C1=O.
What is the InChIKey of 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The InChIKey is BLZFKYAJATWAJA-ZGGTZUKQSA-N. The full InChI is InChI=1S/C21H34O4Si/c1-15(2)10-9-11-16(3)14-17(26(6,7)8)12-13-21(23)19(22)18(24-4)20(21)25-5/h10,16-17,23H,9,11,14H2,1-8H3/t16-,17?,21?/m1/s1.
What are the key properties of 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one has a molecular weight of 378.59 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is sourced from PubChem (CID 10643394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).