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

C12H16O2 — CID 101489931

IUPAC(1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCCO[C@@]12CCC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C12H16O2/c1-2-14-12-6-5-10(13)11(12)8-3-4-9(12)7-8/h3-4,8-9,11H,2,5-7H2,1H3/t8-,9+,11+,12-/m1/s1
InChIKeyLXULLZGKTROLEX-LLHIFLOGSA-N
MW192.26 g/mol
LogP1.95
Rot. Bonds2

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

(1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 101489931) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID101489931
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESCCO[C@@]12CCC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C12H16O2/c1-2-14-12-6-5-10(13)11(12)8-3-4-9(12)7-8/h3-4,8-9,11H,2,5-7H2,1H3/t8-,9+,11+,12-/m1/s1
InChIKeyLXULLZGKTROLEX-LLHIFLOGSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.95
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-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one with MolForge

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Related Compounds

5-Hydroxy-5-methyltricyclo[5.2.1.02,6]dec-8-en-3-one
CID 279284
Tricyclo[5.2.1.0(4,10)]dec-2-en-6-one, 8-methoxy-
CID 554537
1-Propanone, 1-[3-(acetyloxy)bicyclo[2.2.1]hept-5-en-2-yl]-2-methyl-, (2-endo,3-exo)-
CID 575353
6-Hydroxytricyclo[5.2.1.02,6]dec-8-en-3-one
CID 130036267
1-(2-Bicyclo[2.2.1]hept-5-enyl)-3-ethoxypropan-1-one
CID 59061016
2-Bicyclo[2.2.1]hept-5-enyl(oxolan-3-yl)methanone
CID 59061025
Spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one
CID 164728076
5-Cyclooctyloxybicyclo[2.2.1]hept-2-en-7-one
CID 172797523
(1R,2S,6R,7R)-8-methyl-3-oxatricyclo[5.2.1.02,6]deca-4,8-dien-10-one
CID 175754568
(3S,3aS,6aR)-3-methoxy-3-methyl-2,3a,6,6a-tetrahydropentalen-1-one
CID 10583186
(3aR,6aS)-4-ethenyl-5-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 10655439
(1S,2R,5S,6S,7R)-5-[(2-methylpropan-2-yl)oxy]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 10857014

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one (CID 101489931) is (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one is CCO[C@@]12CCC(=O)[C@@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is LXULLZGKTROLEX-LLHIFLOGSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-14-12-6-5-10(13)11(12)8-3-4-9(12)7-8/h3-4,8-9,11H,2,5-7H2,1H3/t8-,9+,11+,12-/m1/s1.
What are the key properties of (1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2R,6R,7R)-6-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 192.26 g/mol, XLogP of 1.95, 2 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-ethoxytricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 101489931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).