acetic acid;oct-1-ene

C10H20O2 — CID 159976970

IUPACacetic acid;oct-1-ene
SMILESC=CCCCCCC.CC(=O)O
InChIInChI=1S/C8H16.C2H4O2/c1-3-5-7-8-6-4-2;1-2(3)4/h3H,1,4-8H2,2H3;1H3,(H,3,4)
InChIKeyOFGYGLUSGXTFKT-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.23
Rot. Bonds5

About acetic acid;oct-1-ene

acetic acid;oct-1-ene (PubChem CID 159976970) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is acetic acid;oct-1-ene.

Molecular Properties

Compound Nameacetic acid;oct-1-ene
PubChem CID159976970
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nameacetic acid;oct-1-ene
SMILESC=CCCCCCC.CC(=O)O
InChIInChI=1S/C8H16.C2H4O2/c1-3-5-7-8-6-4-2;1-2(3)4/h3H,1,4-8H2,2H3;1H3,(H,3,4)
InChIKeyOFGYGLUSGXTFKT-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.23
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'}

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Related Compounds

acetic acid;octadec-1-ene;zinc
CID 175392389
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
acetic acid;ethene;hex-1-ene
CID 174309563
acetic acid;(5Z)-dodeca-1,5-diene
CID 174529937
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dec-9-enoic acid
CID 87497067
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of acetic acid;oct-1-ene?
The IUPAC name of acetic acid;oct-1-ene (CID 159976970) is acetic acid;oct-1-ene.
What is the SMILES notation for acetic acid;oct-1-ene?
The canonical SMILES for acetic acid;oct-1-ene is C=CCCCCCC.CC(=O)O.
What is the InChIKey of acetic acid;oct-1-ene?
The InChIKey is OFGYGLUSGXTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C2H4O2/c1-3-5-7-8-6-4-2;1-2(3)4/h3H,1,4-8H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;oct-1-ene?
acetic acid;oct-1-ene has a molecular weight of 172.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;oct-1-ene is sourced from PubChem (CID 159976970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).