CID 67666594

C17H25O4Si — CID 67666594

IUPAC—
SMILESCc1cc(O[Si](C)C)c(C(C)(C)C)c(C(=O)CCC(=O)O)c1
InChIInChI=1S/C17H25O4Si/c1-11-9-12(13(18)7-8-15(19)20)16(17(2,3)4)14(10-11)21-22(5)6/h9-10H,7-8H2,1-6H3,(H,19,20)
InChIKeyPULMTZZVCSEVOT-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.97
Rot. Bonds6

About CID 67666594

CID 67666594 (PubChem CID 67666594) has the molecular formula C17H25O4Si and a molecular weight of 321.47 g/mol.

Molecular Properties

Compound NameCID 67666594
PubChem CID67666594
Molecular FormulaC17H25O4Si
Molecular Weight321.47 g/mol
Exact Mass321.15
IUPAC Name—
SMILESCc1cc(O[Si](C)C)c(C(C)(C)C)c(C(=O)CCC(=O)O)c1
InChIInChI=1S/C17H25O4Si/c1-11-9-12(13(18)7-8-15(19)20)16(17(2,3)4)14(10-11)21-22(5)6/h9-10H,7-8H2,1-6H3,(H,19,20)
InChIKeyPULMTZZVCSEVOT-UHFFFAOYSA-N
XLogP3.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 67666594 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

4-(2-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82053193
4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
4-(2,4-ditert-butyl-3-hydroxy-6-methylphenyl)-4-oxobutanoic acid
CID 150752133
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82551893
4-(2,3-dihydroxy-5-methoxy-4-methylphenyl)-4-oxobutanoic acid
CID 162958445
2-(3-methoxy-2,5-dimethylphenyl)acetic acid
CID 118998759
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
4-(3-tert-butyl-5-methylphenyl)butanoic acid
CID 56976485
CID 87768585
CID 87768585
5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82551889

Frequently Asked Questions

What is the IUPAC name of CID 67666594?
The IUPAC name of CID 67666594 (CID 67666594) is not available.
What is the SMILES notation for CID 67666594?
The canonical SMILES for CID 67666594 is Cc1cc(O[Si](C)C)c(C(C)(C)C)c(C(=O)CCC(=O)O)c1.
What is the InChIKey of CID 67666594?
The InChIKey is PULMTZZVCSEVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25O4Si/c1-11-9-12(13(18)7-8-15(19)20)16(17(2,3)4)14(10-11)21-22(5)6/h9-10H,7-8H2,1-6H3,(H,19,20).
What are the key properties of CID 67666594?
CID 67666594 has a molecular weight of 321.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67666594 is sourced from PubChem (CID 67666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).