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

C15H18O2 — CID 92977770

IUPAC(1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
SMILESCOc1ccc(OC)c2c1[C@@H]1C=C(C)[C@H]2CC1
InChIInChI=1S/C15H18O2/c1-9-8-10-4-5-11(9)15-13(17-3)7-6-12(16-2)14(10)15/h6-8,10-11H,4-5H2,1-3H3/t10-,11+/m0/s1
InChIKeyVGTHCTTUKNFHTN-WDEREUQCSA-N
MW230.31 g/mol
LogP3.62
Rot. Bonds2

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

(1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene (PubChem CID 92977770) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
PubChem CID92977770
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
SMILESCOc1ccc(OC)c2c1[C@@H]1C=C(C)[C@H]2CC1
InChIInChI=1S/C15H18O2/c1-9-8-10-4-5-11(9)15-13(17-3)7-6-12(16-2)14(10)15/h6-8,10-11H,4-5H2,1-3H3/t10-,11+/m0/s1
InChIKeyVGTHCTTUKNFHTN-WDEREUQCSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.62
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,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391
(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
(1R,8R,9S,12S)-3,6-dimethoxytetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
CID 98162316
3,6-dimethoxytetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
CID 20679326
1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
CID 61383826
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
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
(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
5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene
CID 155332959
methyl (1R,2R)-2-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-ene-1-carboxylate
CID 53376844
7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene
CID 14046660

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The IUPAC name of (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene (CID 92977770) is (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene.
What is the SMILES notation for (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The canonical SMILES for (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene is COc1ccc(OC)c2c1[C@@H]1C=C(C)[C@H]2CC1.
What is the InChIKey of (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
The InChIKey is VGTHCTTUKNFHTN-WDEREUQCSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-8-10-4-5-11(9)15-13(17-3)7-6-12(16-2)14(10)15/h6-8,10-11H,4-5H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene?
(1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene has a molecular weight of 230.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-3,6-dimethoxy-9-methyltricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene is sourced from PubChem (CID 92977770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).