(3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate

C24H48O4Si — CID 87962734

IUPAC(3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)27-22-23(21-25)28-29(2,3)4/h12-13,23,25H,5-11,14-22H2,1-4H3/b13-12-
InChIKeyRHROCRJNAJAVFO-SEYXRHQNSA-N
MW428.73 g/mol
LogP6.78
Rot. Bonds20

About (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate

(3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate (PubChem CID 87962734) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate.

Molecular Properties

Compound Name(3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate
PubChem CID87962734
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Name(3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O[Si](C)(C)C
InChIInChI=1S/C24H48O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)27-22-23(21-25)28-29(2,3)4/h12-13,23,25H,5-11,14-22H2,1-4H3/b13-12-
InChIKeyRHROCRJNAJAVFO-SEYXRHQNSA-N
XLogP6.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate?
The IUPAC name of (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate (CID 87962734) is (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate.
What is the SMILES notation for (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate?
The canonical SMILES for (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O[Si](C)(C)C.
What is the InChIKey of (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate?
The InChIKey is RHROCRJNAJAVFO-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)27-22-23(21-25)28-29(2,3)4/h12-13,23,25H,5-11,14-22H2,1-4H3/b13-12-.
What are the key properties of (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate?
(3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate has a molecular weight of 428.73 g/mol, XLogP of 6.78, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-trimethylsilyloxypropyl) (Z)-octadec-9-enoate is sourced from PubChem (CID 87962734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).