(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C11H12O2 — CID 10986810

IUPAC(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCO[C@@]12C=CC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H12O2/c1-13-11-5-4-9(12)10(11)7-2-3-8(11)6-7/h2-5,7-8,10H,6H2,1H3/t7-,8+,10+,11-/m1/s1
InChIKeyHZUIUVSXJDDIHA-YKDSUIRESA-N
MW176.21 g/mol
LogP1.33
Rot. Bonds1

About (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one

(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 10986810) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID10986810
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCO[C@@]12C=CC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H12O2/c1-13-11-5-4-9(12)10(11)7-2-3-8(11)6-7/h2-5,7-8,10H,6H2,1H3/t7-,8+,10+,11-/m1/s1
InChIKeyHZUIUVSXJDDIHA-YKDSUIRESA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one with MolForge

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Related Compounds

(3aS,7aS)-3a-methoxy-2,3,7,7a-tetrahydroindene-1,6-dione
CID 91989828
1-Hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 57088247
4-(1-Methyl-1lambda5-ioda-3-oxacyclobuta-1,4-dien-2-yl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 166475440
Methyl 5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 166475492
4-(Methoxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 166475516
(1S,2R,6R,7R)-4-(methoxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 172155366
methyl (1R,2S,6S,7S)-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 172155378
(1S,2S,6S,7R)-4-(methoxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 172155387
methyl (1R,2R,6R,7S)-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 172155389
(3S,3aS,6aR)-3-methoxy-3-methyl-2,3a,6,6a-tetrahydropentalen-1-one
CID 10583186
(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10931997
ethyl (1S,2R,6R,7R)-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 10965989

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 10986810) is (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one is CO[C@@]12C=CC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is HZUIUVSXJDDIHA-YKDSUIRESA-N. The full InChI is InChI=1S/C11H12O2/c1-13-11-5-4-9(12)10(11)7-2-3-8(11)6-7/h2-5,7-8,10H,6H2,1H3/t7-,8+,10+,11-/m1/s1.
What are the key properties of (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 176.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 10986810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).