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

C11H14O2 — CID 10931997

IUPAC(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCO[C@@]12CCC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O2/c1-13-11-5-4-9(12)10(11)7-2-3-8(11)6-7/h2-3,7-8,10H,4-6H2,1H3/t7-,8+,10+,11-/m1/s1
InChIKeyMSLAKACYAYUEBX-YKDSUIRESA-N
MW178.23 g/mol
LogP1.56
Rot. Bonds1

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

(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 10931997) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID10931997
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCO[C@@]12CCC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H14O2/c1-13-11-5-4-9(12)10(11)7-2-3-8(11)6-7/h2-3,7-8,10H,4-6H2,1H3/t7-,8+,10+,11-/m1/s1
InChIKeyMSLAKACYAYUEBX-YKDSUIRESA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 10931997) is (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one is CO[C@@]12CCC(=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]dec-8-en-3-one?
The InChIKey is MSLAKACYAYUEBX-YKDSUIRESA-N. The full InChI is InChI=1S/C11H14O2/c1-13-11-5-4-9(12)10(11)7-2-3-8(11)6-7/h2-3,7-8,10H,4-6H2,1H3/t7-,8+,10+,11-/m1/s1.
What are the key properties of (1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2R,6R,7R)-6-methoxytricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.56, 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]dec-8-en-3-one is sourced from PubChem (CID 10931997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).