2-methylprop-2-enoic acid;octacosane

C32H64O2 — CID 158715869

IUPAC2-methylprop-2-enoic acid;octacosane
SMILESC=C(C)C(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H58.C4H6O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3(2)4(5)6/h3-28H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyIJHNUJBFTZEGJP-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.82
Rot. Bonds26

About 2-methylprop-2-enoic acid;octacosane

2-methylprop-2-enoic acid;octacosane (PubChem CID 158715869) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;octacosane.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;octacosane
PubChem CID158715869
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Name2-methylprop-2-enoic acid;octacosane
SMILESC=C(C)C(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H58.C4H6O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3(2)4(5)6/h3-28H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyIJHNUJBFTZEGJP-UHFFFAOYSA-N
XLogP11.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-(Tributylstannylmethyl)prop-2-enoic acid
CID 15062203
2-Methylprop-2-enoate;trioctylstannanylium
CID 17775057
Hexane;2-methylprop-2-enoic acid
CID 18510048
2-Methylprop-2-enoic acid;pentane
CID 18759352
(E)-2-methyl-3-tributylstannylprop-2-enoic acid
CID 20056953
Diethyl(octyl)stannanylium;2-methylprop-2-enoate
CID 21617288
2-Methylprop-2-enoic acid;octane
CID 21640046
Bis(cyclopentadecane);2-methylprop-2-enoic acid
CID 21972213
Tris(cyclodecane);2-methylprop-2-enoic acid
CID 22394949
Decane;2-methylprop-2-enoic acid
CID 23111930
Bis(hexadec-1-ene);2-methylprop-2-enoic acid
CID 23201159
CID 50931247
CID 50931247

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;octacosane?
The IUPAC name of 2-methylprop-2-enoic acid;octacosane (CID 158715869) is 2-methylprop-2-enoic acid;octacosane.
What is the SMILES notation for 2-methylprop-2-enoic acid;octacosane?
The canonical SMILES for 2-methylprop-2-enoic acid;octacosane is C=C(C)C(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methylprop-2-enoic acid;octacosane?
The InChIKey is IJHNUJBFTZEGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58.C4H6O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3(2)4(5)6/h3-28H2,1-2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;octacosane?
2-methylprop-2-enoic acid;octacosane has a molecular weight of 480.86 g/mol, XLogP of 11.82, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;octacosane is sourced from PubChem (CID 158715869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).