(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene

C12H18 — CID 177450624

IUPAC(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@H]21
InChIInChI=1S/C12H18/c1-2-8-6-9-7-12(8)11-5-3-4-10(9)11/h3-4,8-12H,2,5-7H2,1H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyTVLDISKBYLQBLO-LZQZFOIKSA-N
MW162.28 g/mol
LogP3.24
Rot. Bonds1

About (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene

(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 177450624) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID177450624
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@H]21
InChIInChI=1S/C12H18/c1-2-8-6-9-7-12(8)11-5-3-4-10(9)11/h3-4,8-12H,2,5-7H2,1H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyTVLDISKBYLQBLO-LZQZFOIKSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methoxytricyclo[5.2.1.02,6]dec-3-ene
CID 20727446
8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
CID 59653739
(1S,7S)-8-[[(1R,7R)-8-tricyclo[5.2.1.02,6]dec-3-enyl]oxy]tricyclo[5.2.1.02,6]dec-3-ene
CID 11044251
(1S,3R)-1-[(Z)-2-[(1R,3R)-3-ethyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-3-[(Z)-2-[(1S,3R)-3-[(Z)-2-[(1S,3S)-3-ethyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalen-1-yl]ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 176762705
dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)
CID 165362323
8-[1,1-bis(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethoxy]tricyclo[5.2.1.02,6]dec-3-ene
CID 139929074
[(1S,2S,6S,7R,8S)-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
CID 98078056
tricyclo[4.3.0.02,4]non-8-ene
CID 154517803
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592098
(1R,2S,6R,7R)-tricyclo[5.2.1.02,6]dec-3-ene
CID 98044947
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]dec-3-ene
CID 12592101

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene (CID 177450624) is (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene is CC[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CC=C[C@H]21.
What is the InChIKey of (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is TVLDISKBYLQBLO-LZQZFOIKSA-N. The full InChI is InChI=1S/C12H18/c1-2-8-6-9-7-12(8)11-5-3-4-10(9)11/h3-4,8-12H,2,5-7H2,1H3/t8-,9-,10-,11-,12-/m1/s1.
What are the key properties of (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene?
(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 162.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 177450624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).