(1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid

C15H22O2 — CID 46938446

IUPAC(1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid
SMILESC/C1=C\CC/C(C(=O)O)=C/[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-4-6-11(14(16)17)9-13-12(8-7-10)15(13,2)3/h5,9,12-13H,4,6-8H2,1-3H3,(H,16,17)/b10-5+,11-9-/t12-,13+/m0/s1
InChIKeyBBGNZFMMXLMZRC-DXKAXRHTSA-N
MW234.34 g/mol
LogP3.79
Rot. Bonds1

About (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid

(1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid (PubChem CID 46938446) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid.

Molecular Properties

Compound Name(1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid
PubChem CID46938446
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid
SMILESC/C1=C\CC/C(C(=O)O)=C/[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-4-6-11(14(16)17)9-13-12(8-7-10)15(13,2)3/h5,9,12-13H,4,6-8H2,1-3H3,(H,16,17)/b10-5+,11-9-/t12-,13+/m0/s1
InChIKeyBBGNZFMMXLMZRC-DXKAXRHTSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid?
The IUPAC name of (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid (CID 46938446) is (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid.
What is the SMILES notation for (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid?
The canonical SMILES for (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid is C/C1=C\CC/C(C(=O)O)=C/[C@@H]2[C@H](CC1)C2(C)C.
What is the InChIKey of (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid?
The InChIKey is BBGNZFMMXLMZRC-DXKAXRHTSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-5-4-6-11(14(16)17)9-13-12(8-7-10)15(13,2)3/h5,9,12-13H,4,6-8H2,1-3H3,(H,16,17)/b10-5+,11-9-/t12-,13+/m0/s1.
What are the key properties of (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid?
(1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid has a molecular weight of 234.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid is sourced from PubChem (CID 46938446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).