4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

C24H42O4Si — CID 10550181

IUPAC4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCCCCCC(C)CC(C#CC1(O)C(=O)C(OC(C)C)=C1OC(C)C)[Si](C)(C)C
InChIInChI=1S/C24H42O4Si/c1-10-11-12-13-19(6)16-20(29(7,8)9)14-15-24(26)22(25)21(27-17(2)3)23(24)28-18(4)5/h17-20,26H,10-13,16H2,1-9H3
InChIKeyBKWXRPMAHXPPGM-UHFFFAOYSA-N
MW422.68 g/mol
LogP5.68
Rot. Bonds11

About 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 10550181) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID10550181
Molecular FormulaC24H42O4Si
Molecular Weight422.68 g/mol
Exact Mass422.29
IUPAC Name4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCCCCCC(C)CC(C#CC1(O)C(=O)C(OC(C)C)=C1OC(C)C)[Si](C)(C)C
InChIInChI=1S/C24H42O4Si/c1-10-11-12-13-19(6)16-20(29(7,8)9)14-15-24(26)22(25)21(27-17(2)3)23(24)28-18(4)5/h17-20,26H,10-13,16H2,1-9H3
InChIKeyBKWXRPMAHXPPGM-UHFFFAOYSA-N
XLogP5.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 55.68
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclobuten-1-one, 2,3-diethoxy-4-hydroxy-4-[(trimethylsilyl)ethynyl]-
CID 11000066
4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10643394
4-Hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 14140284

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 10550181) is 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CCCCCC(C)CC(C#CC1(O)C(=O)C(OC(C)C)=C1OC(C)C)[Si](C)(C)C.
What is the InChIKey of 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is BKWXRPMAHXPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4Si/c1-10-11-12-13-19(6)16-20(29(7,8)9)14-15-24(26)22(25)21(27-17(2)3)23(24)28-18(4)5/h17-20,26H,10-13,16H2,1-9H3.
What are the key properties of 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 422.68 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(5-methyl-3-trimethylsilyldec-1-ynyl)-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 10550181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).