(1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one

C11H14O3 — CID 101489943

IUPAC(1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCO[C@]12C(=O)CC[C@@]1(O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C11H14O3/c1-14-11-8-3-2-7(6-8)10(11,13)5-4-9(11)12/h2-3,7-8,13H,4-6H2,1H3/t7-,8+,10+,11+/m0/s1
InChIKeyHVOAFKDBTJBNPQ-SCVMZPAESA-N
MW194.23 g/mol
LogP0.67
Rot. Bonds1

About (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one

(1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 101489943) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID101489943
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCO[C@]12C(=O)CC[C@@]1(O)[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C11H14O3/c1-14-11-8-3-2-7(6-8)10(11,13)5-4-9(11)12/h2-3,7-8,13H,4-6H2,1H3/t7-,8+,10+,11+/m0/s1
InChIKeyHVOAFKDBTJBNPQ-SCVMZPAESA-N
XLogP0.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 101489943) is (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one is CO[C@]12C(=O)CC[C@@]1(O)[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is HVOAFKDBTJBNPQ-SCVMZPAESA-N. The full InChI is InChI=1S/C11H14O3/c1-14-11-8-3-2-7(6-8)10(11,13)5-4-9(11)12/h2-3,7-8,13H,4-6H2,1H3/t7-,8+,10+,11+/m0/s1.
What are the key properties of (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-6-hydroxy-2-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 101489943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).