8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid

C10H15O3P — CID 139985447

IUPAC8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid
SMILESO=P(O)(O)C1CC2CC1C1C=CCC21
InChIInChI=1S/C10H15O3P/c11-14(12,13)10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H2,11,12,13)
InChIKeyLQTMJQMIKKFYSX-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.76
Rot. Bonds1

About 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid

8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid (PubChem CID 139985447) has the molecular formula C10H15O3P and a molecular weight of 214.20 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid
PubChem CID139985447
Molecular FormulaC10H15O3P
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid
SMILESO=P(O)(O)C1CC2CC1C1C=CCC21
InChIInChI=1S/C10H15O3P/c11-14(12,13)10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H2,11,12,13)
InChIKeyLQTMJQMIKKFYSX-UHFFFAOYSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid
CID 98048372
[(1S,2S,6S,7R,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 98048334
[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
CID 89153529
(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 118202950
8-tricyclo[5.2.1.02,6]dec-4-enylthiourea
CID 2803167
[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 98083241
tricyclo[4.3.0.02,4]non-8-ene
CID 154517803
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980
1-amino-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]thiourea
CID 98080249
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101
(1S,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 11768627

Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid?
The IUPAC name of 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid (CID 139985447) is 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid is O=P(O)(O)C1CC2CC1C1C=CCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid?
The InChIKey is LQTMJQMIKKFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P/c11-14(12,13)10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-10H,2,4-5H2,(H2,11,12,13).
What are the key properties of 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid?
8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid has a molecular weight of 214.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid is sourced from PubChem (CID 139985447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).