6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene

C21H22O2 — CID 10924795

IUPAC6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
SMILESCOc1ccc2c(C)c(C)c3ccc(OC)c4c3c2c1CCC4
InChIInChI=1S/C21H22O2/c1-12-13(2)15-9-11-19(23-4)17-7-5-6-16-18(22-3)10-8-14(12)20(16)21(15)17/h8-11H,5-7H2,1-4H3
InChIKeySGCPDGAPIHJBOG-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.12
Rot. Bonds2

About 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene

6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene (PubChem CID 10924795) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene.

Molecular Properties

Compound Name6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
PubChem CID10924795
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
SMILESCOc1ccc2c(C)c(C)c3ccc(OC)c4c3c2c1CCC4
InChIInChI=1S/C21H22O2/c1-12-13(2)15-9-11-19(23-4)17-7-5-6-16-18(22-3)10-8-14(12)20(16)21(15)17/h8-11H,5-7H2,1-4H3
InChIKeySGCPDGAPIHJBOG-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene with MolForge

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Related Compounds

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CID 23208941
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CID 21234019
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
4-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 86726683
2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
CID 84770381
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
4-methyl-7-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2,3-dihydro-1H-indene
CID 57157159
(1R)-6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55277803
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
1,4,5,8-tetramethoxynaphthalene
CID 10220551

Frequently Asked Questions

What is the IUPAC name of 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene?
The IUPAC name of 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene (CID 10924795) is 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene.
What is the SMILES notation for 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene?
The canonical SMILES for 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene is COc1ccc2c(C)c(C)c3ccc(OC)c4c3c2c1CCC4.
What is the InChIKey of 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene?
The InChIKey is SGCPDGAPIHJBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-12-13(2)15-9-11-19(23-4)17-7-5-6-16-18(22-3)10-8-14(12)20(16)21(15)17/h8-11H,5-7H2,1-4H3.
What are the key properties of 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene?
6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene has a molecular weight of 306.41 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene is sourced from PubChem (CID 10924795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).