4-ethyloct-1-ene;hexanedioic acid

C16H30O4 — CID 175450276

IUPAC4-ethyloct-1-ene;hexanedioic acid
SMILESC=CCC(CC)CCCC.O=C(O)CCCCC(=O)O
InChIInChI=1S/C10H20.C6H10O4/c1-4-7-9-10(6-3)8-5-2;7-5(8)3-1-2-4-6(9)10/h5,10H,2,4,6-9H2,1,3H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyXRAYLCIQJHCSGO-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.49
Rot. Bonds11

About 4-ethyloct-1-ene;hexanedioic acid

4-ethyloct-1-ene;hexanedioic acid (PubChem CID 175450276) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4-ethyloct-1-ene;hexanedioic acid.

Molecular Properties

Compound Name4-ethyloct-1-ene;hexanedioic acid
PubChem CID175450276
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name4-ethyloct-1-ene;hexanedioic acid
SMILESC=CCC(CC)CCCC.O=C(O)CCCCC(=O)O
InChIInChI=1S/C10H20.C6H10O4/c1-4-7-9-10(6-3)8-5-2;7-5(8)3-1-2-4-6(9)10/h5,10H,2,4,6-9H2,1,3H3;1-4H2,(H,7,8)(H,9,10)
InChIKeyXRAYLCIQJHCSGO-UHFFFAOYSA-N
XLogP4.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.49
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

(4S)-4-ethyloct-1-ene
CID 129373406
5-prop-2-enyldodecanoic acid
CID 90887636
decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
9-ethyloctadecanoic acid
CID 11045212
7-ethyldodecanoic acid
CID 5282689
13-nonyl-14-prop-2-enylhexacosanedioic acid
CID 123780538
6-ethylnonanoic acid
CID 19689071
5-ethyldecanedioic acid
CID 54495296
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
azane;7-ethyloctadecanedioic acid
CID 173365453

Frequently Asked Questions

What is the IUPAC name of 4-ethyloct-1-ene;hexanedioic acid?
The IUPAC name of 4-ethyloct-1-ene;hexanedioic acid (CID 175450276) is 4-ethyloct-1-ene;hexanedioic acid.
What is the SMILES notation for 4-ethyloct-1-ene;hexanedioic acid?
The canonical SMILES for 4-ethyloct-1-ene;hexanedioic acid is C=CCC(CC)CCCC.O=C(O)CCCCC(=O)O.
What is the InChIKey of 4-ethyloct-1-ene;hexanedioic acid?
The InChIKey is XRAYLCIQJHCSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C6H10O4/c1-4-7-9-10(6-3)8-5-2;7-5(8)3-1-2-4-6(9)10/h5,10H,2,4,6-9H2,1,3H3;1-4H2,(H,7,8)(H,9,10).
What are the key properties of 4-ethyloct-1-ene;hexanedioic acid?
4-ethyloct-1-ene;hexanedioic acid has a molecular weight of 286.41 g/mol, XLogP of 4.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloct-1-ene;hexanedioic acid is sourced from PubChem (CID 175450276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).