tri(propan-2-yl)silyl (Z)-octadec-9-enoate

C27H54O2Si — CID 156904918

IUPACtri(propan-2-yl)silyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-30(24(2)3,25(4)5)26(6)7/h15-16,24-26H,8-14,17-23H2,1-7H3/b16-15-
InChIKeyLFSNUOXNILSFNT-NXVVXOECSA-N
MW438.81 g/mol
LogP9.74
Rot. Bonds19

About tri(propan-2-yl)silyl (Z)-octadec-9-enoate

tri(propan-2-yl)silyl (Z)-octadec-9-enoate (PubChem CID 156904918) has the molecular formula C27H54O2Si and a molecular weight of 438.81 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (Z)-octadec-9-enoate
PubChem CID156904918
Molecular FormulaC27H54O2Si
Molecular Weight438.81 g/mol
Exact Mass438.39
IUPAC Nametri(propan-2-yl)silyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-30(24(2)3,25(4)5)26(6)7/h15-16,24-26H,8-14,17-23H2,1-7H3/b16-15-
InChIKeyLFSNUOXNILSFNT-NXVVXOECSA-N
XLogP9.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 59.74
H-Bond Donors ≤ 50
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

trimethylsilyl (E)-octadec-11-enoate
CID 5366419
propan-2-yl (Z)-tetradec-6-enoate
CID 139925977
1-[bis(1-hydroxyethyl)amino]propyl (Z)-octadec-9-enoate
CID 90331953
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
2-methylpropyl (E)-octadec-10-enoate
CID 21291237
propan-2-yl (Z)-dodec-6-enoate
CID 91750689
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl (Z)-octadec-9-enoate?
The IUPAC name of tri(propan-2-yl)silyl (Z)-octadec-9-enoate (CID 156904918) is tri(propan-2-yl)silyl (Z)-octadec-9-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl (Z)-octadec-9-enoate?
The canonical SMILES for tri(propan-2-yl)silyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl (Z)-octadec-9-enoate?
The InChIKey is LFSNUOXNILSFNT-NXVVXOECSA-N. The full InChI is InChI=1S/C27H54O2Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-30(24(2)3,25(4)5)26(6)7/h15-16,24-26H,8-14,17-23H2,1-7H3/b16-15-.
What are the key properties of tri(propan-2-yl)silyl (Z)-octadec-9-enoate?
tri(propan-2-yl)silyl (Z)-octadec-9-enoate has a molecular weight of 438.81 g/mol, XLogP of 9.74, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (Z)-octadec-9-enoate is sourced from PubChem (CID 156904918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).