dec-4-ene;2-methylprop-2-enoic acid

C14H26O2 — CID 175689072

IUPACdec-4-ene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCC=CCCCCC
InChIInChI=1S/C10H20.C4H6O2/c1-3-5-7-9-10-8-6-4-2;1-3(2)4(5)6/h7,9H,3-6,8,10H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyXTXPNQJBMGAKGY-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.57
Rot. Bonds7

About dec-4-ene;2-methylprop-2-enoic acid

dec-4-ene;2-methylprop-2-enoic acid (PubChem CID 175689072) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is dec-4-ene;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namedec-4-ene;2-methylprop-2-enoic acid
PubChem CID175689072
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namedec-4-ene;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCC=CCCCCC
InChIInChI=1S/C10H20.C4H6O2/c1-3-5-7-9-10-8-6-4-2;1-3(2)4(5)6/h7,9H,3-6,8,10H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyXTXPNQJBMGAKGY-UHFFFAOYSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;oct-3-ene
CID 155128147
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
acetic acid;(E)-tetradec-7-ene
CID 174697247
2-methylprop-2-enoic acid;octacosane
CID 158715869
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-methylideneheptacos-4-enoic acid
CID 54443390
2-methylideneheptadec-4-enoic acid
CID 87108825
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tris(2-methylprop-2-enoic acid);(Z)-octadec-9-enoic acid
CID 174629760
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
dodec-4-ene;ethene
CID 175558519
icosa-2,12-dienoic acid
CID 174301675
icosa-2,11-dienoic acid
CID 54537818

Frequently Asked Questions

What is the IUPAC name of dec-4-ene;2-methylprop-2-enoic acid?
The IUPAC name of dec-4-ene;2-methylprop-2-enoic acid (CID 175689072) is dec-4-ene;2-methylprop-2-enoic acid.
What is the SMILES notation for dec-4-ene;2-methylprop-2-enoic acid?
The canonical SMILES for dec-4-ene;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCC=CCCCCC.
What is the InChIKey of dec-4-ene;2-methylprop-2-enoic acid?
The InChIKey is XTXPNQJBMGAKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C4H6O2/c1-3-5-7-9-10-8-6-4-2;1-3(2)4(5)6/h7,9H,3-6,8,10H2,1-2H3;1H2,2H3,(H,5,6).
What are the key properties of dec-4-ene;2-methylprop-2-enoic acid?
dec-4-ene;2-methylprop-2-enoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-4-ene;2-methylprop-2-enoic acid is sourced from PubChem (CID 175689072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).