2-cyclooctylideneacetic acid

C10H16O2 — CID 10442086

IUPAC2-cyclooctylideneacetic acid
SMILESO=C(O)C=C1CCCCCCC1
InChIInChI=1S/C10H16O2/c11-10(12)8-9-6-4-2-1-3-5-7-9/h8H,1-7H2,(H,11,12)
InChIKeyWVFGIZMOVYPWSE-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.74
Rot. Bonds1

About 2-cyclooctylideneacetic acid

2-cyclooctylideneacetic acid (PubChem CID 10442086) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyclooctylideneacetic acid.

Molecular Properties

Compound Name2-cyclooctylideneacetic acid
PubChem CID10442086
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-cyclooctylideneacetic acid
SMILESO=C(O)C=C1CCCCCCC1
InChIInChI=1S/C10H16O2/c11-10(12)8-9-6-4-2-1-3-5-7-9/h8H,1-7H2,(H,11,12)
InChIKeyWVFGIZMOVYPWSE-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctylideneacetic acid?
The IUPAC name of 2-cyclooctylideneacetic acid (CID 10442086) is 2-cyclooctylideneacetic acid.
What is the SMILES notation for 2-cyclooctylideneacetic acid?
The canonical SMILES for 2-cyclooctylideneacetic acid is O=C(O)C=C1CCCCCCC1.
What is the InChIKey of 2-cyclooctylideneacetic acid?
The InChIKey is WVFGIZMOVYPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-10(12)8-9-6-4-2-1-3-5-7-9/h8H,1-7H2,(H,11,12).
What are the key properties of 2-cyclooctylideneacetic acid?
2-cyclooctylideneacetic acid has a molecular weight of 168.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctylideneacetic acid is sourced from PubChem (CID 10442086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).