(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate

C27H54O2Si — CID 154509231

IUPAC(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate
SMILESC=CC(=O)O[SiH2]CCCCCCCCCCCCCCCCCC(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si/c1-6-27(28)29-30-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-26(24(2)3)25(4)5/h6,24-26H,1,7-23,30H2,2-5H3
InChIKeyGUPKOHXYGFDRTA-UHFFFAOYSA-N
MW438.81 g/mol
LogP8.39
Rot. Bonds22

About (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate

(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate (PubChem CID 154509231) has the molecular formula C27H54O2Si and a molecular weight of 438.81 g/mol. Its IUPAC name is (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate.

Molecular Properties

Compound Name(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate
PubChem CID154509231
Molecular FormulaC27H54O2Si
Molecular Weight438.81 g/mol
Exact Mass438.39
IUPAC Name(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate
SMILESC=CC(=O)O[SiH2]CCCCCCCCCCCCCCCCCC(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si/c1-6-27(28)29-30-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-26(24(2)3)25(4)5/h6,24-26H,1,7-23,30H2,2-5H3
InChIKeyGUPKOHXYGFDRTA-UHFFFAOYSA-N
XLogP8.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 58.39
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
2-methylpropylsilyl prop-2-enoate
CID 123153275
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
(8-amino-2-methyloctyl) prop-2-enoate
CID 150808477
6-methoxysilylhexyl prop-2-enoate
CID 150247885
5-sulfanylpentylsilyl 18-methylnonadecanoate
CID 150103943
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
6-methylnonyl prop-2-enoate
CID 21298968
(4-methyl-5-prop-2-enoyloxypentacosan-6-yl) prop-2-enoate
CID 174315980
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094

Frequently Asked Questions

What is the IUPAC name of (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate?
The IUPAC name of (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate (CID 154509231) is (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate.
What is the SMILES notation for (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate?
The canonical SMILES for (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate is C=CC(=O)O[SiH2]CCCCCCCCCCCCCCCCCC(C(C)C)C(C)C.
What is the InChIKey of (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate?
The InChIKey is GUPKOHXYGFDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si/c1-6-27(28)29-30-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-26(24(2)3)25(4)5/h6,24-26H,1,7-23,30H2,2-5H3.
What are the key properties of (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate?
(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate has a molecular weight of 438.81 g/mol, XLogP of 8.39, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate is sourced from PubChem (CID 154509231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).