(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one

C15H22O2 — CID 134944275

IUPAC(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
SMILESCC1=CC(O)C23C(=O)C1C(C)(C)C2CCC3C
InChIInChI=1S/C15H22O2/c1-8-7-11(16)15-9(2)5-6-10(15)14(3,4)12(8)13(15)17/h7,9-12,16H,5-6H2,1-4H3
InChIKeyBLTOXLGCOASVQT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds

About (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one

(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one (PubChem CID 134944275) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one.

Molecular Properties

Compound Name(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
PubChem CID134944275
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one
SMILESCC1=CC(O)C23C(=O)C1C(C)(C)C2CCC3C
InChIInChI=1S/C15H22O2/c1-8-7-11(16)15-9(2)5-6-10(15)14(3,4)12(8)13(15)17/h7,9-12,16H,5-6H2,1-4H3
InChIKeyBLTOXLGCOASVQT-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

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CID 10243131
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CID 24862283
(4aR,7R,9aR)-7-hydroxy-4,4,6,9a-tetramethyl-1,2,3,4a,7,8-hexahydrobenzo[7]annulen-9-one
CID 10490011
(1R,3aS,8aR)-6-(hydroxymethyl)-8a-methyl-1-propan-2-yl-1,2,3,3a,7,8-hexahydroazulen-4-one
CID 60154792
15alpha-Hydroxy-14-aldehyde probotryan-4
CID 21778025
Psathyrin A
CID 156009517
(2R,7S,8R,11R,12R)-4-(hydroxymethyl)-12-[(2S)-1-hydroxypropan-2-yl]-8,11-dimethyltetracyclo[6.6.0.01,11.02,7]tetradec-3-en-14-one
CID 156012892
Aphanamol I
CID 11031884
(1R,3aS,8aS)-7-(hydroxymethyl)-3a-methyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydroazulen-4-one
CID 14446660
(4R,5S)-5-[(1S,1aR,4aR,7S,7aS,7bR)-7-hydroxy-1,7-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-1-yl]-4-hydroxy-2-methylcyclopent-2-en-1-one
CID 76320823
Cucumin G
CID 10752179
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CID 15347428

Frequently Asked Questions

What is the IUPAC name of (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
The IUPAC name of (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one (CID 134944275) is (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one.
What is the SMILES notation for (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
The canonical SMILES for (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one is CC1=CC(O)C23C(=O)C1C(C)(C)C2CCC3C.
What is the InChIKey of (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
The InChIKey is BLTOXLGCOASVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-7-11(16)15-9(2)5-6-10(15)14(3,4)12(8)13(15)17/h7,9-12,16H,5-6H2,1-4H3.
What are the key properties of (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one?
(2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one has a molecular weight of 234.34 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-10-hydroxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-11-one is sourced from PubChem (CID 134944275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).