acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol

C12H18O3 — CID 71333510

IUPACacetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol
SMILESCC(=O)O.OC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C10H14O.C2H4O2/c11-9-4-3-8-6-1-2-7(5-6)10(8)9;1-2(3)4/h3-4,6-11H,1-2,5H2;1H3,(H,3,4)
InChIKeyRTKRXBCHSPGXGF-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.67
Rot. Bonds

About acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol

acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol (PubChem CID 71333510) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol.

Molecular Properties

Compound Nameacetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol
PubChem CID71333510
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameacetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol
SMILESCC(=O)O.OC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C10H14O.C2H4O2/c11-9-4-3-8-6-1-2-7(5-6)10(8)9;1-2(3)4/h3-4,6-11H,1-2,5H2;1H3,(H,3,4)
InChIKeyRTKRXBCHSPGXGF-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol?
The IUPAC name of acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol (CID 71333510) is acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol.
What is the SMILES notation for acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol?
The canonical SMILES for acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol is CC(=O)O.OC1C=CC2C3CCC(C3)C12.
What is the InChIKey of acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol?
The InChIKey is RTKRXBCHSPGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H4O2/c11-9-4-3-8-6-1-2-7(5-6)10(8)9;1-2(3)4/h3-4,6-11H,1-2,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol?
acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol has a molecular weight of 210.27 g/mol, XLogP of 1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tricyclo[5.2.1.02,6]dec-4-en-3-ol is sourced from PubChem (CID 71333510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).