(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene

C14H16O2 — CID 98162391

IUPAC(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
SMILESCOc1ccc(OC)c2c1[C@H]1C=C[C@H]2CC1
InChIInChI=1S/C14H16O2/c1-15-11-7-8-12(16-2)14-10-5-3-9(4-6-10)13(11)14/h3,5,7-10H,4,6H2,1-2H3/t9-,10-/m0/s1
InChIKeyRUXDJCUFSHQCFD-UWVGGRQHSA-N
MW216.28 g/mol
LogP3.23
Rot. Bonds2

About (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene

(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene (PubChem CID 98162391) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
PubChem CID98162391
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
SMILESCOc1ccc(OC)c2c1[C@H]1C=C[C@H]2CC1
InChIInChI=1S/C14H16O2/c1-15-11-7-8-12(16-2)14-10-5-3-9(4-6-10)13(11)14/h3,5,7-10H,4,6H2,1-2H3/t9-,10-/m0/s1
InChIKeyRUXDJCUFSHQCFD-UWVGGRQHSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.23
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

(1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 92977770
(1S,8R)-4-ethyl-6-methoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraen-3-ol
CID 10998815
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
(1S,4S,11R,14R,21S,24R)-6,9,16,19,26,29-hexamethoxydecacyclo[22.6.1.14,11.114,21.02,23.03,12.05,10.013,22.015,20.025,30]tritriaconta-2,5,7,9,12,15,17,19,22,25,27,29-dodecaene
CID 10531635
3,6-dimethoxytetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
CID 20679326
(1R,8R,9S,12S)-3,6-dimethoxytetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
CID 98162316
(1R,2S,7R,8R)-10,13-dimethoxypentacyclo[6.6.2.22,7.02,7.09,14]octadeca-4,9,11,13,15,17-hexaene
CID 98162374
1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
CID 61383826
1-cyclopropyl-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64688199
(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 98162420
3,6-dimethoxy-12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 134859431
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The IUPAC name of (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene (CID 98162391) is (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene.
What is the SMILES notation for (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The canonical SMILES for (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene is COc1ccc(OC)c2c1[C@H]1C=C[C@H]2CC1.
What is the InChIKey of (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The InChIKey is RUXDJCUFSHQCFD-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16O2/c1-15-11-7-8-12(16-2)14-10-5-3-9(4-6-10)13(11)14/h3,5,7-10H,4,6H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene has a molecular weight of 216.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene is sourced from PubChem (CID 98162391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).