(Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid

C22H44O3Si — CID 134695181

IUPAC(Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCC(C)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-8-14-17-20(23)18-15-12-10-9-11-13-16-19-22(2,21(24)25)26(3,4)5/h12,15,20,23H,6-11,13-14,16-19H2,1-5H3,(H,24,25)/b15-12-/t20-,22?/m1/s1
InChIKeyVSZFHBKAPDKRRW-GEMGIMPASA-N
MW384.68 g/mol
LogP6.79
Rot. Bonds16

About (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid

(Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid (PubChem CID 134695181) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid.

Molecular Properties

Compound Name(Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid
PubChem CID134695181
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name(Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCC(C)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-8-14-17-20(23)18-15-12-10-9-11-13-16-19-22(2,21(24)25)26(3,4)5/h12,15,20,23H,6-11,13-14,16-19H2,1-5H3,(H,24,25)/b15-12-/t20-,22?/m1/s1
InChIKeyVSZFHBKAPDKRRW-GEMGIMPASA-N
XLogP6.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.79
H-Bond Donors ≤ 52
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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Related Compounds

Ricinoleic Acid
CID 643684
(9Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
Ricinelaidic acid
CID 445641
Avenoleic acid
CID 45934094
(9E)-12-hydroxyoctadec-9-enoic acid
CID 5282943
Octyldodecyl Ricinoleate
CID 87962722
12-Hydroxyoctadec-9-enoic acid
CID 8839
(9Z,12Z)-15-Hydroxy-9,12-octadecadienoic acid
CID 75536015
12S-Home(9Z)
CID 5312853
Ricinoleate
CID 25630959
(9Z)-12-hydroxyoctadec-9-enoate
CID 46173162
9-Octadecenoic acid, 12-hydroxy-, calcium salt (1:?), (9Z,12R)-
CID 5312852

Frequently Asked Questions

What is the IUPAC name of (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid?
The IUPAC name of (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid (CID 134695181) is (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid.
What is the SMILES notation for (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid?
The canonical SMILES for (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid is CCCCCC[C@@H](O)C/C=C\CCCCCCC(C)(C(=O)O)[Si](C)(C)C.
What is the InChIKey of (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid?
The InChIKey is VSZFHBKAPDKRRW-GEMGIMPASA-N. The full InChI is InChI=1S/C22H44O3Si/c1-6-7-8-14-17-20(23)18-15-12-10-9-11-13-16-19-22(2,21(24)25)26(3,4)5/h12,15,20,23H,6-11,13-14,16-19H2,1-5H3,(H,24,25)/b15-12-/t20-,22?/m1/s1.
What are the key properties of (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid?
(Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid has a molecular weight of 384.68 g/mol, XLogP of 6.79, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,12R)-12-hydroxy-2-methyl-2-trimethylsilyloctadec-9-enoic acid is sourced from PubChem (CID 134695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).