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

C14H28O3 — CID 174640538

IUPACdecan-1-ol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCO
InChIInChI=1S/C10H22O.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11;1-3(2)4(5)6/h11H,2-10H2,1H3;1H2,2H3,(H,5,6)
InChIKeyMBQNOLHWQFKXLZ-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.77
Rot. Bonds9

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

decan-1-ol;2-methylprop-2-enoic acid (PubChem CID 174640538) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is decan-1-ol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namedecan-1-ol;2-methylprop-2-enoic acid
PubChem CID174640538
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Namedecan-1-ol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCO
InChIInChI=1S/C10H22O.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11;1-3(2)4(5)6/h11H,2-10H2,1H3;1H2,2H3,(H,5,6)
InChIKeyMBQNOLHWQFKXLZ-UHFFFAOYSA-N
XLogP3.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.77
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

2-methylprop-2-enoic acid;octan-1-ol
CID 174681035
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 decan-1-ol;2-methylprop-2-enoic acid?
The IUPAC name of decan-1-ol;2-methylprop-2-enoic acid (CID 174640538) is decan-1-ol;2-methylprop-2-enoic acid.
What is the SMILES notation for decan-1-ol;2-methylprop-2-enoic acid?
The canonical SMILES for decan-1-ol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCCCCCCCCO.
What is the InChIKey of decan-1-ol;2-methylprop-2-enoic acid?
The InChIKey is MBQNOLHWQFKXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11;1-3(2)4(5)6/h11H,2-10H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of decan-1-ol;2-methylprop-2-enoic acid?
decan-1-ol;2-methylprop-2-enoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;2-methylprop-2-enoic acid is sourced from PubChem (CID 174640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).