2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one

C19H32O4Si — CID 10807942

IUPAC2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
SMILESCCCCC1=C(OC)C(O)(C(=C=C(CCC)[Si](C)(C)C)OC)C1=O
InChIInChI=1S/C19H32O4Si/c1-8-10-12-15-17(20)19(21,18(15)23-4)16(22-3)13-14(11-9-2)24(5,6)7/h21H,8-12H2,1-7H3
InChIKeyDSMJRWKBLOKEDA-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.12
Rot. Bonds9

About 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one

2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one (PubChem CID 10807942) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
PubChem CID10807942
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
SMILESCCCCC1=C(OC)C(O)(C(=C=C(CCC)[Si](C)(C)C)OC)C1=O
InChIInChI=1S/C19H32O4Si/c1-8-10-12-15-17(20)19(21,18(15)23-4)16(22-3)13-14(11-9-2)24(5,6)7/h21H,8-12H2,1-7H3
InChIKeyDSMJRWKBLOKEDA-UHFFFAOYSA-N
XLogP4.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)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-Butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689913
3-Butoxy-4-[5-(2,3-dibutoxy-1-hydroxy-4-oxocyclobut-2-en-1-yl)pentyl]cyclobut-3-ene-1,2-dione
CID 22910851
2,3-Dibutoxy-4-hexyl-4-hydroxycyclobut-2-en-1-one
CID 22910855
2-Butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
CID 14689917
4-Hydroxy-2,3-dimethoxy-4-(2-methoxycyclohexen-1-yl)cyclobut-2-en-1-one
CID 102153604

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
The IUPAC name of 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one (CID 10807942) is 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one.
What is the SMILES notation for 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
The canonical SMILES for 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one is CCCCC1=C(OC)C(O)(C(=C=C(CCC)[Si](C)(C)C)OC)C1=O.
What is the InChIKey of 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
The InChIKey is DSMJRWKBLOKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-8-10-12-15-17(20)19(21,18(15)23-4)16(22-3)13-14(11-9-2)24(5,6)7/h21H,8-12H2,1-7H3.
What are the key properties of 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one?
2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one has a molecular weight of 352.55 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one is sourced from PubChem (CID 10807942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).