(1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid

C15H20O4 — CID 156580469

IUPAC(1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid
SMILESC[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@H]3C[C@](C)(C(=O)O)C[C@]132
InChIInChI=1S/C15H20O4/c1-8-3-4-9-5-10(12(16)17)11-6-14(2,13(18)19)7-15(8,9)11/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,16,17)(H,18,19)/t8-,9-,11-,14+,15-/m1/s1
InChIKeyHUJFKZCVAUJOMH-HVBVWTFJSA-N
MW264.32 g/mol
LogP2.54
Rot. Bonds2

About (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid

(1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid (PubChem CID 156580469) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid.

Molecular Properties

Compound Name(1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid
PubChem CID156580469
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid
SMILESC[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@H]3C[C@](C)(C(=O)O)C[C@]132
InChIInChI=1S/C15H20O4/c1-8-3-4-9-5-10(12(16)17)11-6-14(2,13(18)19)7-15(8,9)11/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,16,17)(H,18,19)/t8-,9-,11-,14+,15-/m1/s1
InChIKeyHUJFKZCVAUJOMH-HVBVWTFJSA-N
XLogP2.54
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid?
The IUPAC name of (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid (CID 156580469) is (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid.
What is the SMILES notation for (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid?
The canonical SMILES for (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid is C[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@H]3C[C@](C)(C(=O)O)C[C@]132.
What is the InChIKey of (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid?
The InChIKey is HUJFKZCVAUJOMH-HVBVWTFJSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-3-4-9-5-10(12(16)17)11-6-14(2,13(18)19)7-15(8,9)11/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,16,17)(H,18,19)/t8-,9-,11-,14+,15-/m1/s1.
What are the key properties of (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid?
(1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3,6-dicarboxylic acid is sourced from PubChem (CID 156580469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).