5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate

C30H51NO2 — CID 159648776

IUPAC5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=Cc1ccc(C)nc1
InChIInChI=1S/C22H42O2.C8H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-3-8-5-4-7(2)9-6-8/h2,4-20H2,1,3H3;3-6H,1H2,2H3
InChIKeyMRHKRSBJTNCERC-UHFFFAOYSA-N
MW457.74 g/mol
LogP9.40
Rot. Bonds19

About 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate

5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate (PubChem CID 159648776) has the molecular formula C30H51NO2 and a molecular weight of 457.74 g/mol. Its IUPAC name is 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate
PubChem CID159648776
Molecular FormulaC30H51NO2
Molecular Weight457.74 g/mol
Exact Mass457.39
IUPAC Name5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=Cc1ccc(C)nc1
InChIInChI=1S/C22H42O2.C8H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-3-8-5-4-7(2)9-6-8/h2,4-20H2,1,3H3;3-6H,1H2,2H3
InChIKeyMRHKRSBJTNCERC-UHFFFAOYSA-N
XLogP9.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.74
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 2-methylprop-2-enoate;1-ethenyl-4-methylbenzene;hexyl 2-methylidenebutanoate
CID 67896874
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
6-[4-(3-hexadecoxy-3-oxoprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323709
6-[4-(3-oxo-3-pentoxyprop-1-enyl)phenoxy]hexyl 2-methylprop-2-enoate
CID 67323026
benzene;pentyl 2-methylprop-2-enoate
CID 174465726

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate?
The IUPAC name of 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate (CID 159648776) is 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate?
The canonical SMILES for 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=Cc1ccc(C)nc1.
What is the InChIKey of 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate?
The InChIKey is MRHKRSBJTNCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2.C8H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-3-8-5-4-7(2)9-6-8/h2,4-20H2,1,3H3;3-6H,1H2,2H3.
What are the key properties of 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate?
5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate has a molecular weight of 457.74 g/mol, XLogP of 9.40, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylpyridine;octadecyl 2-methylprop-2-enoate is sourced from PubChem (CID 159648776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).