carbon dioxide;dodecanoic acid;undec-1-ene

C24H46O4 — CID 169429904

IUPACcarbon dioxide;dodecanoic acid;undec-1-ene
SMILESC=CCCCCCCCCC.CCCCCCCCCCCC(=O)O.O=C=O
InChIInChI=1S/C12H24O2.C11H22.CO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-11-10-8-6-4-2;2-1-3/h2-11H2,1H3,(H,13,14);3H,1,4-11H2,2H3;
InChIKeySMVFZOUMRXUJGL-UHFFFAOYSA-N
MW398.63 g/mol
LogP7.72
Rot. Bonds18

About carbon dioxide;dodecanoic acid;undec-1-ene

carbon dioxide;dodecanoic acid;undec-1-ene (PubChem CID 169429904) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is carbon dioxide;dodecanoic acid;undec-1-ene.

Molecular Properties

Compound Namecarbon dioxide;dodecanoic acid;undec-1-ene
PubChem CID169429904
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Namecarbon dioxide;dodecanoic acid;undec-1-ene
SMILESC=CCCCCCCCCC.CCCCCCCCCCCC(=O)O.O=C=O
InChIInChI=1S/C12H24O2.C11H22.CO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-11-10-8-6-4-2;2-1-3/h2-11H2,1H3,(H,13,14);3H,1,4-11H2,2H3;
InChIKeySMVFZOUMRXUJGL-UHFFFAOYSA-N
XLogP7.72
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dec-1-ene;dec-9-enoic acid
CID 87497067
azane;bis(barium(2+));hydride;bis(octadecanoic acid);undec-10-enoic acid
CID 173307096
heptanal;undec-10-enoic acid
CID 118865645
tritriacont-32-enoic acid
CID 54063641
carbon dioxide;tricosanoic acid
CID 162218172
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
isocyanic acid;undec-10-enoic acid
CID 172822510
isocyanic acid;methane;non-8-enoic acid
CID 174797729
pentacos-1-en-11-one
CID 21420755
formaldehyde;octadec-9-enoic acid
CID 159210703

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;dodecanoic acid;undec-1-ene?
The IUPAC name of carbon dioxide;dodecanoic acid;undec-1-ene (CID 169429904) is carbon dioxide;dodecanoic acid;undec-1-ene.
What is the SMILES notation for carbon dioxide;dodecanoic acid;undec-1-ene?
The canonical SMILES for carbon dioxide;dodecanoic acid;undec-1-ene is C=CCCCCCCCCC.CCCCCCCCCCCC(=O)O.O=C=O.
What is the InChIKey of carbon dioxide;dodecanoic acid;undec-1-ene?
The InChIKey is SMVFZOUMRXUJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C11H22.CO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-11-10-8-6-4-2;2-1-3/h2-11H2,1H3,(H,13,14);3H,1,4-11H2,2H3;.
What are the key properties of carbon dioxide;dodecanoic acid;undec-1-ene?
carbon dioxide;dodecanoic acid;undec-1-ene has a molecular weight of 398.63 g/mol, XLogP of 7.72, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;dodecanoic acid;undec-1-ene is sourced from PubChem (CID 169429904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).