formic acid;oct-2-ene

C9H18O2 — CID 159391664

IUPACformic acid;oct-2-ene
SMILESCC=CCCCCC.O=CO
InChIInChI=1S/C8H16.CH2O2/c1-3-5-7-8-6-4-2;2-1-3/h3,5H,4,6-8H2,1-2H3;1H,(H,2,3)
InChIKeyLMEPKJMNXOMBIH-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.84
Rot. Bonds4

About formic acid;oct-2-ene

formic acid;oct-2-ene (PubChem CID 159391664) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is formic acid;oct-2-ene.

Molecular Properties

Compound Nameformic acid;oct-2-ene
PubChem CID159391664
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nameformic acid;oct-2-ene
SMILESCC=CCCCCC.O=CO
InChIInChI=1S/C8H16.CH2O2/c1-3-5-7-8-6-4-2;2-1-3/h3,5H,4,6-8H2,1-2H3;1H,(H,2,3)
InChIKeyLMEPKJMNXOMBIH-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-oct-2-ene
CID 5356796
(Z)-icos-2-ene
CID 5352524
hept-2-ene;methanol
CID 135236025
oct-2-ene;hydrochloride
CID 86744102
(E)-dodec-7-enal;(Z)-dodec-2-ene
CID 174913601
(Z)-dodec-2-ene;propan-2-one
CID 175013676
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
octadeca-2,10-diene
CID 54270716
pentadeca-2,10-diene
CID 174048350
pentadeca-2,6-diene
CID 165019979
sodium;hydride;octadec-2-ene
CID 175594563
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810

Frequently Asked Questions

What is the IUPAC name of formic acid;oct-2-ene?
The IUPAC name of formic acid;oct-2-ene (CID 159391664) is formic acid;oct-2-ene.
What is the SMILES notation for formic acid;oct-2-ene?
The canonical SMILES for formic acid;oct-2-ene is CC=CCCCCC.O=CO.
What is the InChIKey of formic acid;oct-2-ene?
The InChIKey is LMEPKJMNXOMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.CH2O2/c1-3-5-7-8-6-4-2;2-1-3/h3,5H,4,6-8H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;oct-2-ene?
formic acid;oct-2-ene has a molecular weight of 158.24 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;oct-2-ene is sourced from PubChem (CID 159391664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).