(1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid

C15H20O4 — CID 38355546

IUPAC(1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
SMILESCC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3CC(=O)[C@](C)(O)[C@]23C1
InChIInChI=1S/C15H20O4/c1-13(2)6-8-4-9(12(17)18)10-5-11(16)14(3,19)15(8,10)7-13/h4,8,10,19H,5-7H2,1-3H3,(H,17,18)/t8-,10+,14+,15-/m1/s1
InChIKeyNRFQQPLOQBXDRE-RMQCSFIASA-N
MW264.32 g/mol
LogP1.77
Rot. Bonds1

About (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid

(1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid (PubChem CID 38355546) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
PubChem CID38355546
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
SMILESCC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3CC(=O)[C@](C)(O)[C@]23C1
InChIInChI=1S/C15H20O4/c1-13(2)6-8-4-9(12(17)18)10-5-11(16)14(3,19)15(8,10)7-13/h4,8,10,19H,5-7H2,1-3H3,(H,17,18)/t8-,10+,14+,15-/m1/s1
InChIKeyNRFQQPLOQBXDRE-RMQCSFIASA-N
XLogP1.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The IUPAC name of (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid (CID 38355546) is (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid.
What is the SMILES notation for (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The canonical SMILES for (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3CC(=O)[C@](C)(O)[C@]23C1.
What is the InChIKey of (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
The InChIKey is NRFQQPLOQBXDRE-RMQCSFIASA-N. The full InChI is InChI=1S/C15H20O4/c1-13(2)6-8-4-9(12(17)18)10-5-11(16)14(3,19)15(8,10)7-13/h4,8,10,19H,5-7H2,1-3H3,(H,17,18)/t8-,10+,14+,15-/m1/s1.
What are the key properties of (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid?
(1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,8S)-2-hydroxy-2,10,10-trimethyl-3-oxotricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid is sourced from PubChem (CID 38355546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).