(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one

C16H20O3 — CID 124807724

IUPAC(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one
SMILESCC1=C[C@@H]2[C@@H](C(C)=C1O)[C@H]1C=C[C@@]2(C)C(=O)[C@]1(C)O
InChIInChI=1S/C16H20O3/c1-8-7-11-12(9(2)13(8)17)10-5-6-15(11,3)14(18)16(10,4)19/h5-7,10-12,17,19H,1-4H3/t10-,11-,12+,15-,16-/m1/s1
InChIKeyJHOZTHANDINZKA-ZTJZGAFRSA-N
MW260.33 g/mol
LogP2.54
Rot. Bonds

About (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one

(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one (PubChem CID 124807724) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one.

Molecular Properties

Compound Name(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one
PubChem CID124807724
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one
SMILESCC1=C[C@@H]2[C@@H](C(C)=C1O)[C@H]1C=C[C@@]2(C)C(=O)[C@]1(C)O
InChIInChI=1S/C16H20O3/c1-8-7-11-12(9(2)13(8)17)10-5-6-15(11,3)14(18)16(10,4)19/h5-7,10-12,17,19H,1-4H3/t10-,11-,12+,15-,16-/m1/s1
InChIKeyJHOZTHANDINZKA-ZTJZGAFRSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one?
The IUPAC name of (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one (CID 124807724) is (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one.
What is the SMILES notation for (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one?
The canonical SMILES for (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one is CC1=C[C@@H]2[C@@H](C(C)=C1O)[C@H]1C=C[C@@]2(C)C(=O)[C@]1(C)O.
What is the InChIKey of (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one?
The InChIKey is JHOZTHANDINZKA-ZTJZGAFRSA-N. The full InChI is InChI=1S/C16H20O3/c1-8-7-11-12(9(2)13(8)17)10-5-6-15(11,3)14(18)16(10,4)19/h5-7,10-12,17,19H,1-4H3/t10-,11-,12+,15-,16-/m1/s1.
What are the key properties of (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one?
(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one has a molecular weight of 260.33 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one is sourced from PubChem (CID 124807724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).