3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid

C18H35FO3Si — CID 70075414

IUPAC3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
SMILESCCC(F)C[Si](C)(C)OC(CC)C1CCC(CCC(=O)O)CC1
InChIInChI=1S/C18H35FO3Si/c1-5-16(19)13-23(3,4)22-17(6-2)15-10-7-14(8-11-15)9-12-18(20)21/h14-17H,5-13H2,1-4H3,(H,20,21)
InChIKeyZYSKTPGTDVNOCW-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.41
Rot. Bonds10

About 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid

3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid (PubChem CID 70075414) has the molecular formula C18H35FO3Si and a molecular weight of 346.56 g/mol. Its IUPAC name is 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
PubChem CID70075414
Molecular FormulaC18H35FO3Si
Molecular Weight346.56 g/mol
Exact Mass346.23
IUPAC Name3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
SMILESCCC(F)C[Si](C)(C)OC(CC)C1CCC(CCC(=O)O)CC1
InChIInChI=1S/C18H35FO3Si/c1-5-16(19)13-23(3,4)22-17(6-2)15-10-7-14(8-11-15)9-12-18(20)21/h14-17H,5-13H2,1-4H3,(H,20,21)
InChIKeyZYSKTPGTDVNOCW-UHFFFAOYSA-N
XLogP5.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
The IUPAC name of 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid (CID 70075414) is 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid is CCC(F)C[Si](C)(C)OC(CC)C1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
The InChIKey is ZYSKTPGTDVNOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FO3Si/c1-5-16(19)13-23(3,4)22-17(6-2)15-10-7-14(8-11-15)9-12-18(20)21/h14-17H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid has a molecular weight of 346.56 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[2-fluorobutyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid is sourced from PubChem (CID 70075414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).