(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid

C18H27FO3Si — CID 67991573

IUPAC(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid
SMILESCC(C)(CC/C(=C\CCC(=O)O)c1ccc(F)cc1)[Si](C)(C)O
InChIInChI=1S/C18H27FO3Si/c1-18(2,23(3,4)22)13-12-14(6-5-7-17(20)21)15-8-10-16(19)11-9-15/h6,8-11,22H,5,7,12-13H2,1-4H3,(H,20,21)/b14-6+
InChIKeyBIGUJUVMNAYPLG-MKMNVTDBSA-N
MW338.50 g/mol
LogP4.83
Rot. Bonds8

About (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid

(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid (PubChem CID 67991573) has the molecular formula C18H27FO3Si and a molecular weight of 338.50 g/mol. Its IUPAC name is (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid.

Molecular Properties

Compound Name(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid
PubChem CID67991573
Molecular FormulaC18H27FO3Si
Molecular Weight338.50 g/mol
Exact Mass338.17
IUPAC Name(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid
SMILESCC(C)(CC/C(=C\CCC(=O)O)c1ccc(F)cc1)[Si](C)(C)O
InChIInChI=1S/C18H27FO3Si/c1-18(2,23(3,4)22)13-12-14(6-5-7-17(20)21)15-8-10-16(19)11-9-15/h6,8-11,22H,5,7,12-13H2,1-4H3,(H,20,21)/b14-6+
InChIKeyBIGUJUVMNAYPLG-MKMNVTDBSA-N
XLogP4.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid 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

[(E)-7-chloro-5-(4-fluorophenyl)-2-methylhept-5-en-2-yl]-hydroxy-dimethylsilane
CID 67991543
(4S)-3-[(Z)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 67991559
(Z)-3-(4-fluorophenyl)-4-trimethylsilylbut-3-enoic acid
CID 102370786
[4-[(3R)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)-6-[hydroxy(dimethyl)silyl]-6-methylhept-2-enyl]-4-oxoazetidin-2-yl]phenyl] benzoate
CID 67991560
4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348044
fluorobenzene;4-oxobutanoic acid
CID 88636565
4-[4-[(4-fluorobenzoyl)amino]butanoylamino]-4-methylpentanoic acid
CID 119204694
3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119177515
4-[3-[(4-fluorobenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357551
4,4-bis(4-hydroxyphenyl)pentanoic acid;(4-fluorophenyl)-(4-methylphenyl)methanone
CID 161185145
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid?
The IUPAC name of (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid (CID 67991573) is (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid.
What is the SMILES notation for (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid?
The canonical SMILES for (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid is CC(C)(CC/C(=C\CCC(=O)O)c1ccc(F)cc1)[Si](C)(C)O.
What is the InChIKey of (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid?
The InChIKey is BIGUJUVMNAYPLG-MKMNVTDBSA-N. The full InChI is InChI=1S/C18H27FO3Si/c1-18(2,23(3,4)22)13-12-14(6-5-7-17(20)21)15-8-10-16(19)11-9-15/h6,8-11,22H,5,7,12-13H2,1-4H3,(H,20,21)/b14-6+.
What are the key properties of (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid?
(E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid has a molecular weight of 338.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-fluorophenyl)-8-[hydroxy(dimethyl)silyl]-8-methylnon-4-enoic acid is sourced from PubChem (CID 67991573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).