(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C16H18O2 — CID 98162420

IUPAC(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCOc1ccc(OC)c2c1[C@H]1C=C[C@H]2C1=C(C)C
InChIInChI=1S/C16H18O2/c1-9(2)14-10-5-6-11(14)16-13(18-4)8-7-12(17-3)15(10)16/h5-8,10-11H,1-4H3/t10-,11-/m0/s1
InChIKeyHPQIDDUNGWBTGC-QWRGUYRKSA-N
MW242.32 g/mol
LogP3.79
Rot. Bonds2

About (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 98162420) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID98162420
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCOc1ccc(OC)c2c1[C@H]1C=C[C@H]2C1=C(C)C
InChIInChI=1S/C16H18O2/c1-9(2)14-10-5-6-11(14)16-13(18-4)8-7-12(17-3)15(10)16/h5-8,10-11H,1-4H3/t10-,11-/m0/s1
InChIKeyHPQIDDUNGWBTGC-QWRGUYRKSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
(1R,8S)-11-chloro-3,6-dimethoxy-11-prop-1-en-2-yltricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 94037400
(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
(1S,3S,4R)-5,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isochromen-4-ol
CID 102092118
(1S,2R,9R,10S,13S,14S)-4,7-dimethoxypentacyclo[7.5.0.02,14.03,8.010,13]tetradeca-3,5,7,11-tetraene
CID 98556349
2-(5,6,8,9-tetrabromo-1,4-dimethoxy-5,6,8,9-tetrahydrobenzo[7]annulen-7-ylidene)propanedinitrile
CID 10099820
1,4,5,8-tetramethoxynaphthalene
CID 10220551
4,7-dimethoxy-2,2-dimethyl-1,3,2-benzodithiastannole
CID 15186090
(1R,3S,4R)-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isochromene-4,5-diol
CID 15418342

Frequently Asked Questions

What is the IUPAC name of (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 98162420) is (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is COc1ccc(OC)c2c1[C@H]1C=C[C@H]2C1=C(C)C.
What is the InChIKey of (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is HPQIDDUNGWBTGC-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H18O2/c1-9(2)14-10-5-6-11(14)16-13(18-4)8-7-12(17-3)15(10)16/h5-8,10-11H,1-4H3/t10-,11-/m0/s1.
What are the key properties of (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
(1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 242.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-3,6-dimethoxy-11-propan-2-ylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 98162420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).