2-methylprop-2-enoic acid;octan-1-ol

C12H24O3 — CID 174681035

IUPAC2-methylprop-2-enoic acid;octan-1-ol
SMILESC=C(C)C(=O)O.CCCCCCCCO
InChIInChI=1S/C8H18O.C4H6O2/c1-2-3-4-5-6-7-8-9;1-3(2)4(5)6/h9H,2-8H2,1H3;1H2,2H3,(H,5,6)
InChIKeyVILMAWDEHFPAHA-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.99
Rot. Bonds7

About 2-methylprop-2-enoic acid;octan-1-ol

2-methylprop-2-enoic acid;octan-1-ol (PubChem CID 174681035) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;octan-1-ol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;octan-1-ol
PubChem CID174681035
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-methylprop-2-enoic acid;octan-1-ol
SMILESC=C(C)C(=O)O.CCCCCCCCO
InChIInChI=1S/C8H18O.C4H6O2/c1-2-3-4-5-6-7-8-9;1-3(2)4(5)6/h9H,2-8H2,1H3;1H2,2H3,(H,5,6)
InChIKeyVILMAWDEHFPAHA-UHFFFAOYSA-N
XLogP2.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

decan-1-ol;2-methylprop-2-enoic acid
CID 174640538
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
2-methylprop-2-enoic acid;octacosane
CID 158715869
bis(2-methylprop-2-enoic acid);octadecanoic acid
CID 158142105
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
hexadecan-1-ol;2-methylidenebutanedioic acid
CID 174634850
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol;pentakis(2-methylprop-2-enoic acid)
CID 173132083
dodecanoic acid;2-methylprop-2-enoic acid;zirconium
CID 88603348
carbamic acid;octan-1-ol
CID 175180386
octadecan-1-ol;propanoic acid
CID 158858583

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;octan-1-ol?
The IUPAC name of 2-methylprop-2-enoic acid;octan-1-ol (CID 174681035) is 2-methylprop-2-enoic acid;octan-1-ol.
What is the SMILES notation for 2-methylprop-2-enoic acid;octan-1-ol?
The canonical SMILES for 2-methylprop-2-enoic acid;octan-1-ol is C=C(C)C(=O)O.CCCCCCCCO.
What is the InChIKey of 2-methylprop-2-enoic acid;octan-1-ol?
The InChIKey is VILMAWDEHFPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H6O2/c1-2-3-4-5-6-7-8-9;1-3(2)4(5)6/h9H,2-8H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;octan-1-ol?
2-methylprop-2-enoic acid;octan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;octan-1-ol is sourced from PubChem (CID 174681035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).