(1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene

C14H20O2 — CID 13112019

IUPAC(1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene
SMILESCOC1=C[C@@H]2[C@H](CC1)[C@H]1C=C[C@]2(OC)CC1
InChIInChI=1S/C14H20O2/c1-15-11-3-4-12-10-5-7-14(16-2,8-6-10)13(12)9-11/h5,7,9-10,12-13H,3-4,6,8H2,1-2H3/t10-,12+,13+,14-/m0/s1
InChIKeySJHKORKWMZCXHD-ASEORRQLSA-N
MW220.31 g/mol
LogP2.91
Rot. Bonds2

About (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene

(1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene (PubChem CID 13112019) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene.

Molecular Properties

Compound Name(1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene
PubChem CID13112019
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene
SMILESCOC1=C[C@@H]2[C@H](CC1)[C@H]1C=C[C@]2(OC)CC1
InChIInChI=1S/C14H20O2/c1-15-11-3-4-12-10-5-7-14(16-2,8-6-10)13(12)9-11/h5,7,9-10,12-13H,3-4,6,8H2,1-2H3/t10-,12+,13+,14-/m0/s1
InChIKeySJHKORKWMZCXHD-ASEORRQLSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methoxybicyclo[2.2.2]oct-2-ene
CID 134935064
(1R,2R,7S,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene
CID 13112018
[(1R,2R,7S,8R)-1-acetyloxy-4-tricyclo[6.2.2.02,7]dodeca-3,9-dienyl] acetate
CID 13761943
[(1R,2S,7R,8R)-1-acetyloxy-4-tricyclo[6.2.2.02,7]dodeca-3,9-dienyl] acetate
CID 13761944
5,6-Diethyl-1-methoxybicyclo[2.2.2]oct-2-ene
CID 59942166
1-Methoxy-5-propan-2-ylbicyclo[2.2.2]oct-2-ene
CID 141691547
3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene
CID 149024858
1-Methoxy-6-prop-2-enylbicyclo[2.2.2]oct-2-ene
CID 12563981
(1S,2R,4R)-2-ethenyl-1-methoxybicyclo[2.2.2]oct-5-en-2-olate
CID 101095684
(6R,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undec-3-ene
CID 102148314
(5S)-5-[(1R,2S,5R)-1,5-dimethyl-2-propan-2-ylcyclohexyl]oxy-2-methoxycyclohexa-1,3-diene
CID 135048025

Frequently Asked Questions

What is the IUPAC name of (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene?
The IUPAC name of (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene (CID 13112019) is (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene.
What is the SMILES notation for (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene?
The canonical SMILES for (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene is COC1=C[C@@H]2[C@H](CC1)[C@H]1C=C[C@]2(OC)CC1.
What is the InChIKey of (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene?
The InChIKey is SJHKORKWMZCXHD-ASEORRQLSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-11-3-4-12-10-5-7-14(16-2,8-6-10)13(12)9-11/h5,7,9-10,12-13H,3-4,6,8H2,1-2H3/t10-,12+,13+,14-/m0/s1.
What are the key properties of (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene?
(1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene has a molecular weight of 220.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7R,8R)-1,4-dimethoxytricyclo[6.2.2.02,7]dodeca-3,9-diene is sourced from PubChem (CID 13112019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).