(1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione

C15H20O3 — CID 139054938

IUPAC(1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione
SMILESC[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@](C)(C(=O)C(O)=C31)C2(C)C
InChIInChI=1S/C15H20O3/c1-7-5-6-8-10-9(7)11(16)13(18)15(4,12(10)17)14(8,2)3/h7-8,10,16H,5-6H2,1-4H3/t7-,8-,10-,15-/m1/s1
InChIKeyOVXHUUIKUYHENI-YEQQSWKOSA-N
MW248.32 g/mol
LogP2.66
Rot. Bonds

About (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione

(1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione (PubChem CID 139054938) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione.

Molecular Properties

Compound Name(1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione
PubChem CID139054938
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione
SMILESC[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@](C)(C(=O)C(O)=C31)C2(C)C
InChIInChI=1S/C15H20O3/c1-7-5-6-8-10-9(7)11(16)13(18)15(4,12(10)17)14(8,2)3/h7-8,10,16H,5-6H2,1-4H3/t7-,8-,10-,15-/m1/s1
InChIKeyOVXHUUIKUYHENI-YEQQSWKOSA-N
XLogP2.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione?
The IUPAC name of (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione (CID 139054938) is (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione.
What is the SMILES notation for (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione?
The canonical SMILES for (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione is C[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@](C)(C(=O)C(O)=C31)C2(C)C.
What is the InChIKey of (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione?
The InChIKey is OVXHUUIKUYHENI-YEQQSWKOSA-N. The full InChI is InChI=1S/C15H20O3/c1-7-5-6-8-10-9(7)11(16)13(18)15(4,12(10)17)14(8,2)3/h7-8,10,16H,5-6H2,1-4H3/t7-,8-,10-,15-/m1/s1.
What are the key properties of (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione?
(1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione has a molecular weight of 248.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8R,9R)-3-hydroxy-1,5,11,11-tetramethyltricyclo[6.2.1.04,9]undec-3-ene-2,10-dione is sourced from PubChem (CID 139054938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).