15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene

C20H32O2 — CID 15938960

IUPAC15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
SMILESCOc1cc2c(OC)cc1CCCCCCCCCCCC2
InChIInChI=1S/C20H32O2/c1-21-19-15-18-14-12-10-8-6-4-3-5-7-9-11-13-17(19)16-20(18)22-2/h15-16H,3-14H2,1-2H3
InChIKeyGVCJMULRUWJQGX-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.70
Rot. Bonds2

About 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene

15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene (PubChem CID 15938960) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene.

Molecular Properties

Compound Name15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
PubChem CID15938960
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
SMILESCOc1cc2c(OC)cc1CCCCCCCCCCCC2
InChIInChI=1S/C20H32O2/c1-21-19-15-18-14-12-10-8-6-4-3-5-7-9-11-13-17(19)16-20(18)22-2/h15-16H,3-14H2,1-2H3
InChIKeyGVCJMULRUWJQGX-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101443306
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CID 117339402
3-methoxy-5,6,7,8-tetrahydronaphthalen-2-amine;hydrobromide
CID 170999674
6,17,23,34-tetramethoxypentacyclo[29.3.1.15,9.114,18.122,26]octatriaconta-1(34),5,7,9(38),14(37),15,17,22,24,26(36),31(35),32-dodecaene
CID 11802005
5,11-dibromo-13,15-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene
CID 129117919
(2Z)-7,14-dimethoxy-2,3-dimethyltricyclo[11.3.1.14,8]octadeca-1(17),2,4(18),5,7,13,15-heptaene
CID 11823446
4-bromo-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84712949
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
CID 117339337
3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfinate
CID 175223208
4-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)piperidine
CID 117402861
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565

Frequently Asked Questions

What is the IUPAC name of 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene?
The IUPAC name of 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene (CID 15938960) is 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene.
What is the SMILES notation for 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene?
The canonical SMILES for 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene is COc1cc2c(OC)cc1CCCCCCCCCCCC2.
What is the InChIKey of 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene?
The InChIKey is GVCJMULRUWJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-21-19-15-18-14-12-10-8-6-4-3-5-7-9-11-13-17(19)16-20(18)22-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene?
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene has a molecular weight of 304.47 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene is sourced from PubChem (CID 15938960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).