2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid

C12H16O2 — CID 98048372

IUPAC2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid
SMILESO=C(O)C[C@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@H]21
InChIInChI=1S/C12H16O2/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1,3,7-11H,2,4-6H2,(H,13,14)/t7-,8-,9-,10-,11+/m1/s1
InChIKeyRAVVDTHJQRTLQN-ILAIQSSSSA-N
MW192.26 g/mol
LogP2.31
Rot. Bonds2

About 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid

2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid (PubChem CID 98048372) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid
PubChem CID98048372
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid
SMILESO=C(O)C[C@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@H]21
InChIInChI=1S/C12H16O2/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1,3,7-11H,2,4-6H2,(H,13,14)/t7-,8-,9-,10-,11+/m1/s1
InChIKeyRAVVDTHJQRTLQN-ILAIQSSSSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
8-tricyclo[5.2.1.02,6]dec-4-enylphosphonic acid
CID 139985447
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891
2-[(2R,3R,4R,6S,7R,9S,10R,11S,14S,16S)-9-(carboxymethyl)-4-hexacyclo[8.5.1.02,6.03,14.07,16.011,15]hexadec-12-enyl]acetic acid
CID 124780057
2-[(3R,5R,6R)-3-ethynyl-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129304326
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
2-(8-tricyclo[5.2.1.02,6]dec-4-enylsulfanyl)ethyl 2-methylprop-2-enoate
CID 101010236
(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 138580530
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980
(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 118202950
(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene
CID 177450624

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid?
The IUPAC name of 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid (CID 98048372) is 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid is O=C(O)C[C@H]1C[C@@H]2C[C@@H]1[C@@H]1C=CC[C@H]21.
What is the InChIKey of 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid?
The InChIKey is RAVVDTHJQRTLQN-ILAIQSSSSA-N. The full InChI is InChI=1S/C12H16O2/c13-12(14)6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1,3,7-11H,2,4-6H2,(H,13,14)/t7-,8-,9-,10-,11+/m1/s1.
What are the key properties of 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid?
2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid has a molecular weight of 192.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]dec-4-enyl]acetic acid is sourced from PubChem (CID 98048372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).