(1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

C12H14O2 — CID 10607704

IUPAC(1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCC1=C[C@H](O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C12H14O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-11,13H,5H2,1H3/t7-,8+,9+,10+,11+/m1/s1
InChIKeyCHIUPHMXZMTGCK-NMUGVGKYSA-N
MW190.24 g/mol
LogP1.31
Rot. Bonds

About (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

(1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (PubChem CID 10607704) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
PubChem CID10607704
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCC1=C[C@H](O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C12H14O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-11,13H,5H2,1H3/t7-,8+,9+,10+,11+/m1/s1
InChIKeyCHIUPHMXZMTGCK-NMUGVGKYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The IUPAC name of (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (CID 10607704) is (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.
What is the SMILES notation for (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The canonical SMILES for (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is CC1=C[C@H](O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The InChIKey is CHIUPHMXZMTGCK-NMUGVGKYSA-N. The full InChI is InChI=1S/C12H14O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-11,13H,5H2,1H3/t7-,8+,9+,10+,11+/m1/s1.
What are the key properties of (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
(1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one has a molecular weight of 190.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7R,8S)-6-hydroxy-4-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is sourced from PubChem (CID 10607704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).