8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

C15H22O2 — CID 73238363

IUPAC8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SMILESCC1=CC(O)C(C)(C)C=CC(=O)C(C)=CCC1
InChIInChI=1S/C15H22O2/c1-11-6-5-7-12(2)13(16)8-9-15(3,4)14(17)10-11/h7-10,14,17H,5-6H2,1-4H3
InChIKeyPXEHDVGCVODKBI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.19
Rot. Bonds

About 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one (PubChem CID 73238363) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one.

Molecular Properties

Compound Name8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
PubChem CID73238363
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SMILESCC1=CC(O)C(C)(C)C=CC(=O)C(C)=CCC1
InChIInChI=1S/C15H22O2/c1-11-6-5-7-12(2)13(16)8-9-15(3,4)14(17)10-11/h7-10,14,17H,5-6H2,1-4H3
InChIKeyPXEHDVGCVODKBI-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E,8R,10E)-8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 139584287
(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 162928689
(4Z,7Z,10R)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 38362320
(1R,4E,7E,10S,11R)-10-hydroxy-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dien-6-one
CID 15939725
(1Z,5E,8E)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-triene-1-carbaldehyde
CID 155934100
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
(1S,3R,4Z,7Z,11R)-3-hydroxy-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dien-6-one
CID 162985160
(4E,10S)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4-diene-6,12-dione
CID 135042671
(2E,6Z,10E)-6-(hexadecoxymethyl)-2,9,9-trimethylcycloundeca-2,6,10-trien-1-one
CID 150162727
(1R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,7,8,12,12a-octahydrocyclopenta[11]annulen-11-one
CID 177418332
[(1R,2S,3aS,4R,5Z,9Z,12aS)-4-acetyloxy-3a,6,10-trimethyl-11-oxo-1-prop-1-en-2-yl-1,2,3,4,7,8,12,12a-octahydrocyclopenta[11]annulen-2-yl] acetate
CID 163042812
6-hydroxy-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-trien-12-one
CID 74095096

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The IUPAC name of 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one (CID 73238363) is 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one.
What is the SMILES notation for 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The canonical SMILES for 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one is CC1=CC(O)C(C)(C)C=CC(=O)C(C)=CCC1.
What is the InChIKey of 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The InChIKey is PXEHDVGCVODKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-6-5-7-12(2)13(16)8-9-15(3,4)14(17)10-11/h7-10,14,17H,5-6H2,1-4H3.
What are the key properties of 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one is sourced from PubChem (CID 73238363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).