(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid

C15H22O2 — CID 14632894

IUPAC(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid
SMILESC=C1CC[C@@]2(C)C[C@@H]1[C@]1(C(=O)O)CCC[C@]21C
InChIInChI=1S/C15H22O2/c1-10-5-8-13(2)9-11(10)15(12(16)17)7-4-6-14(13,15)3/h11H,1,4-9H2,2-3H3,(H,16,17)/t11-,13-,14+,15-/m0/s1
InChIKeyVDQVZUARIGBYPI-MHEUCROKSA-N
MW234.34 g/mol
LogP3.62
Rot. Bonds1

About (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid

(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid (PubChem CID 14632894) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid
PubChem CID14632894
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid
SMILESC=C1CC[C@@]2(C)C[C@@H]1[C@]1(C(=O)O)CCC[C@]21C
InChIInChI=1S/C15H22O2/c1-10-5-8-13(2)9-11(10)15(12(16)17)7-4-6-14(13,15)3/h11H,1,4-9H2,2-3H3,(H,16,17)/t11-,13-,14+,15-/m0/s1
InChIKeyVDQVZUARIGBYPI-MHEUCROKSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid?
The IUPAC name of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid (CID 14632894) is (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid?
The canonical SMILES for (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid is C=C1CC[C@@]2(C)C[C@@H]1[C@]1(C(=O)O)CCC[C@]21C.
What is the InChIKey of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid?
The InChIKey is VDQVZUARIGBYPI-MHEUCROKSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-5-8-13(2)9-11(10)15(12(16)17)7-4-6-14(13,15)3/h11H,1,4-9H2,2-3H3,(H,16,17)/t11-,13-,14+,15-/m0/s1.
What are the key properties of (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid?
(1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid has a molecular weight of 234.34 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-6,7-dimethyl-10-methylidenetricyclo[5.3.1.02,6]undecane-2-carboxylic acid is sourced from PubChem (CID 14632894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).