2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid

C26H44O4 — CID 87921197

IUPAC2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
SMILESC=CCCCC(CCCC=C)C(=O)O.C=CCCCCC(CCCCC=C)C(=O)O
InChIInChI=1S/C14H24O2.C12H20O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2;1-3-5-7-9-11(12(13)14)10-8-6-4-2/h3-4,13H,1-2,5-12H2,(H,15,16);3-4,11H,1-2,5-10H2,(H,13,14)
InChIKeyMGUVDDLQTDHGLB-UHFFFAOYSA-N
MW420.63 g/mol
LogP7.58
Rot. Bonds20

About 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid

2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid (PubChem CID 87921197) has the molecular formula C26H44O4 and a molecular weight of 420.63 g/mol. Its IUPAC name is 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid.

Molecular Properties

Compound Name2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
PubChem CID87921197
Molecular FormulaC26H44O4
Molecular Weight420.63 g/mol
Exact Mass420.32
IUPAC Name2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
SMILESC=CCCCC(CCCC=C)C(=O)O.C=CCCCCC(CCCCC=C)C(=O)O
InChIInChI=1S/C14H24O2.C12H20O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2;1-3-5-7-9-11(12(13)14)10-8-6-4-2/h3-4,13H,1-2,5-12H2,(H,15,16);3-4,11H,1-2,5-10H2,(H,13,14)
InChIKeyMGUVDDLQTDHGLB-UHFFFAOYSA-N
XLogP7.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 57.58
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

2-pentyldec-9-enoic acid
CID 175975601
2-oct-7-enylpentanedioic acid
CID 45359271
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057
2-prop-2-enyldodec-11-enoic acid
CID 88827199
2-prop-2-enyldec-9-enoic acid
CID 90413259
sodium;2-hex-5-enylhexanedioic acid;hydride
CID 175176644
sodium 3-carboxynon-8-enoate
CID 102118555
2-(methoxymethyl)non-8-enoic acid
CID 90389869
(2S)-2-amino-4-dec-9-enylpentanedioic acid
CID 18396854
2-but-3-enyldecanoic acid;sulfane
CID 174631215
(2R)-2-hydroxyhept-6-enoic acid
CID 55302354
(2R)-2-methylnon-8-enoic acid
CID 129385535

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid?
The IUPAC name of 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid (CID 87921197) is 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid.
What is the SMILES notation for 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid?
The canonical SMILES for 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid is C=CCCCC(CCCC=C)C(=O)O.C=CCCCCC(CCCCC=C)C(=O)O.
What is the InChIKey of 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid?
The InChIKey is MGUVDDLQTDHGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2.C12H20O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2;1-3-5-7-9-11(12(13)14)10-8-6-4-2/h3-4,13H,1-2,5-12H2,(H,15,16);3-4,11H,1-2,5-10H2,(H,13,14).
What are the key properties of 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid?
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid has a molecular weight of 420.63 g/mol, XLogP of 7.58, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid is sourced from PubChem (CID 87921197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).