2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid

C9H10O3 — CID 22965765

IUPAC2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid
SMILESO=C(O)C=C1CC2C=CC(C1)O2
InChIInChI=1S/C9H10O3/c10-9(11)5-6-3-7-1-2-8(4-6)12-7/h1-2,5,7-8H,3-4H2,(H,10,11)
InChIKeyVOXBGFOZNPFROR-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.11
Rot. Bonds1

About 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid

2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid (PubChem CID 22965765) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid.

Molecular Properties

Compound Name2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid
PubChem CID22965765
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid
SMILESO=C(O)C=C1CC2C=CC(C1)O2
InChIInChI=1S/C9H10O3/c10-9(11)5-6-3-7-1-2-8(4-6)12-7/h1-2,5,7-8H,3-4H2,(H,10,11)
InChIKeyVOXBGFOZNPFROR-UHFFFAOYSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oeqocixtfsgeqn-uhfffaoysa-
CID 15765570
(E)-2-methyl-3-(oxan-2-yl)prop-2-enoic acid
CID 18421371
1-(8-Oxabicyclo[3.2.1]oct-6-en-3-ylidene)propan-2-one
CID 22965750
2-(2,6-Dimethyloxan-4-ylidene)acetic acid
CID 22965759
2-Methyl-3-(oxan-2-yl)prop-2-enoic acid
CID 53754908
CID 53762279
CID 53762279
Ethyl 3-(4-methylideneoxan-2-yl)but-2-enoate
CID 54072099
Ethyl 2-(2,6-dimethyloxan-4-ylidene)acetate
CID 57001027
ethyl 2-[(2R,6S)-2,6-dimethyloxan-4-ylidene]acetate
CID 58938996
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-ylidene]acetate
CID 58939027
(Z)-3-(oxan-2-yl)prop-2-enoic acid
CID 69599687
Ethyl 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetate
CID 69842372

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid?
The IUPAC name of 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid (CID 22965765) is 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid.
What is the SMILES notation for 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid?
The canonical SMILES for 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid is O=C(O)C=C1CC2C=CC(C1)O2.
What is the InChIKey of 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid?
The InChIKey is VOXBGFOZNPFROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-9(11)5-6-3-7-1-2-8(4-6)12-7/h1-2,5,7-8H,3-4H2,(H,10,11).
What are the key properties of 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid?
2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxabicyclo[3.2.1]oct-6-en-3-ylidene)acetic acid is sourced from PubChem (CID 22965765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).