11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one

C15H22O3 — CID 162416910

IUPAC11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one
SMILESCOC1=CC2(C)C(O)C(C1=O)C1(C)CCCC21C
InChIInChI=1S/C15H22O3/c1-13-6-5-7-15(13,3)14(2)8-9(18-4)11(16)10(13)12(14)17/h8,10,12,17H,5-7H2,1-4H3
InChIKeyQNZIVVZKFCVQLL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds1

About 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one

11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one (PubChem CID 162416910) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one.

Molecular Properties

Compound Name11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one
PubChem CID162416910
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one
SMILESCOC1=CC2(C)C(O)C(C1=O)C1(C)CCCC21C
InChIInChI=1S/C15H22O3/c1-13-6-5-7-15(13,3)14(2)8-9(18-4)11(16)10(13)12(14)17/h8,10,12,17H,5-7H2,1-4H3
InChIKeyQNZIVVZKFCVQLL-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one with MolForge

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Related Compounds

Phomalairdenone C
CID 21668643
(3aS,4S,6aR)-3a-hydroxy-4,6a-dimethyl-2-propan-2-yloxy-5,6-dihydro-4H-pentalen-1-one
CID 10489332
(3aS,6S,6aR)-6a-hydroxy-3a,6-dimethyl-2-propan-2-yloxy-5,6-dihydro-4H-pentalen-1-one
CID 10609190
(5R,6R,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
CID 10922463
(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one
CID 10967912
(5R,6S,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
CID 11009895
(1R,5R,6S,8R,11R)-6-hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
CID 21668642
6-Hydroxy-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-en-4-one
CID 73819173
(3aR,6R,6aS)-6a-hydroxy-3a,6-dimethyl-2-propan-2-yloxy-5,6-dihydro-4H-pentalen-1-one
CID 101688767

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one?
The IUPAC name of 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one (CID 162416910) is 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one.
What is the SMILES notation for 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one?
The canonical SMILES for 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one is COC1=CC2(C)C(O)C(C1=O)C1(C)CCCC21C.
What is the InChIKey of 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one?
The InChIKey is QNZIVVZKFCVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-13-6-5-7-15(13,3)14(2)8-9(18-4)11(16)10(13)12(14)17/h8,10,12,17H,5-7H2,1-4H3.
What are the key properties of 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one?
11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one has a molecular weight of 250.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-9-methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-en-8-one is sourced from PubChem (CID 162416910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).