(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene

C12H18O — CID 153454980

IUPAC(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
SMILESCCOC1C[C@H]2C[C@@H]1[C@H]1C=CC[C@@H]21
InChIInChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3/t8-,9+,10+,11-,12?/m1/s1
InChIKeyMFSOXQKQXQKWST-SCWFEDMQSA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds2

About (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene

(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 153454980) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
PubChem CID153454980
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
SMILESCCOC1C[C@H]2C[C@@H]1[C@H]1C=CC[C@@H]21
InChIInChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3/t8-,9+,10+,11-,12?/m1/s1
InChIKeyMFSOXQKQXQKWST-SCWFEDMQSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene (CID 153454980) is (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene is CCOC1C[C@H]2C[C@@H]1[C@H]1C=CC[C@@H]21.
What is the InChIKey of (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is MFSOXQKQXQKWST-SCWFEDMQSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3/t8-,9+,10+,11-,12?/m1/s1.
What are the key properties of (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene?
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 178.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 153454980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).