hept-6-enoic acid;undec-10-enoic acid

C18H32O4 — CID 87675195

IUPAChept-6-enoic acid;undec-10-enoic acid
SMILESC=CCCCCC(=O)O.C=CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O2.C7H12O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-3-4-5-6-7(8)9/h2H,1,3-10H2,(H,12,13);2H,1,3-6H2,(H,8,9)
InChIKeyLGCPSJUKECFEBE-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.20
Rot. Bonds14

About hept-6-enoic acid;undec-10-enoic acid

hept-6-enoic acid;undec-10-enoic acid (PubChem CID 87675195) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is hept-6-enoic acid;undec-10-enoic acid.

Molecular Properties

Compound Namehept-6-enoic acid;undec-10-enoic acid
PubChem CID87675195
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Namehept-6-enoic acid;undec-10-enoic acid
SMILESC=CCCCCC(=O)O.C=CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O2.C7H12O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-3-4-5-6-7(8)9/h2H,1,3-10H2,(H,12,13);2H,1,3-6H2,(H,8,9)
InChIKeyLGCPSJUKECFEBE-UHFFFAOYSA-N
XLogP5.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
alumane;undec-10-enoic acid;hydrochloride
CID 175378056
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
isocyanic acid;undec-10-enoic acid
CID 172822510
dec-1-ene;dec-9-enoic acid
CID 87497067
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
isocyanic acid;methane;non-8-enoic acid
CID 174797729
buta-1,3-diene;decanedioic acid
CID 87614862
heptadeca-12,16-dienoic acid
CID 91393607
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798

Frequently Asked Questions

What is the IUPAC name of hept-6-enoic acid;undec-10-enoic acid?
The IUPAC name of hept-6-enoic acid;undec-10-enoic acid (CID 87675195) is hept-6-enoic acid;undec-10-enoic acid.
What is the SMILES notation for hept-6-enoic acid;undec-10-enoic acid?
The canonical SMILES for hept-6-enoic acid;undec-10-enoic acid is C=CCCCCC(=O)O.C=CCCCCCCCCC(=O)O.
What is the InChIKey of hept-6-enoic acid;undec-10-enoic acid?
The InChIKey is LGCPSJUKECFEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C7H12O2/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-2-3-4-5-6-7(8)9/h2H,1,3-10H2,(H,12,13);2H,1,3-6H2,(H,8,9).
What are the key properties of hept-6-enoic acid;undec-10-enoic acid?
hept-6-enoic acid;undec-10-enoic acid has a molecular weight of 312.45 g/mol, XLogP of 5.20, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-enoic acid;undec-10-enoic acid is sourced from PubChem (CID 87675195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).