(1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid

C20H30O2 — CID 10685796

IUPAC(1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid
SMILESC/C1=C\CC/C(C(=O)O)=C/[C@@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C20H30O2/c1-14-7-5-8-15(2)11-12-17-18(20(17,3)4)13-16(19(21)22)10-6-9-14/h8-9,13,17-18H,5-7,10-12H2,1-4H3,(H,21,22)/b14-9+,15-8+,16-13-/t17-,18-/m1/s1
InChIKeyJXHXWPLGLBBOQS-ZUAPZGLESA-N
MW302.46 g/mol
LogP5.52
Rot. Bonds1

About (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid

(1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid (PubChem CID 10685796) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid.

Molecular Properties

Compound Name(1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid
PubChem CID10685796
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid
SMILESC/C1=C\CC/C(C(=O)O)=C/[C@@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C
InChIInChI=1S/C20H30O2/c1-14-7-5-8-15(2)11-12-17-18(20(17,3)4)13-16(19(21)22)10-6-9-14/h8-9,13,17-18H,5-7,10-12H2,1-4H3,(H,21,22)/b14-9+,15-8+,16-13-/t17-,18-/m1/s1
InChIKeyJXHXWPLGLBBOQS-ZUAPZGLESA-N
XLogP5.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.52
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,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid?
The IUPAC name of (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid (CID 10685796) is (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid.
What is the SMILES notation for (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid?
The canonical SMILES for (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid is C/C1=C\CC/C(C(=O)O)=C/[C@@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C.
What is the InChIKey of (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid?
The InChIKey is JXHXWPLGLBBOQS-ZUAPZGLESA-N. The full InChI is InChI=1S/C20H30O2/c1-14-7-5-8-15(2)11-12-17-18(20(17,3)4)13-16(19(21)22)10-6-9-14/h8-9,13,17-18H,5-7,10-12H2,1-4H3,(H,21,22)/b14-9+,15-8+,16-13-/t17-,18-/m1/s1.
What are the key properties of (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid?
(1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid has a molecular weight of 302.46 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,6E,10E,14R)-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carboxylic acid is sourced from PubChem (CID 10685796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).