(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid

C19H38O3Si — CID 89405999

IUPAC(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid
SMILESCCCCCCC/C=C/CCC(O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C19H38O3Si/c1-5-7-9-10-11-12-13-14-15-16-18(19(20)21)22-23(3,4)17-8-6-2/h13-14,18H,5-12,15-17H2,1-4H3,(H,20,21)/b14-13+
InChIKeyOQFDGHIMZWBMDK-BUHFOSPRSA-N
MW342.60 g/mol
LogP6.16
Rot. Bonds15

About (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid

(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid (PubChem CID 89405999) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid.

Molecular Properties

Compound Name(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid
PubChem CID89405999
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid
SMILESCCCCCCC/C=C/CCC(O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C19H38O3Si/c1-5-7-9-10-11-12-13-14-15-16-18(19(20)21)22-23(3,4)17-8-6-2/h13-14,18H,5-12,15-17H2,1-4H3,(H,20,21)/b14-13+
InChIKeyOQFDGHIMZWBMDK-BUHFOSPRSA-N
XLogP6.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid?
The IUPAC name of (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid (CID 89405999) is (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid.
What is the SMILES notation for (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid?
The canonical SMILES for (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid is CCCCCCC/C=C/CCC(O[Si](C)(C)CCCC)C(=O)O.
What is the InChIKey of (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid?
The InChIKey is OQFDGHIMZWBMDK-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-5-7-9-10-11-12-13-14-15-16-18(19(20)21)22-23(3,4)17-8-6-2/h13-14,18H,5-12,15-17H2,1-4H3,(H,20,21)/b14-13+.
What are the key properties of (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid?
(E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid has a molecular weight of 342.60 g/mol, XLogP of 6.16, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[butyl(dimethyl)silyl]oxytridec-5-enoic acid is sourced from PubChem (CID 89405999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).