(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

C18H16O2 — CID 6536678

IUPAC(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=C/C=C\C=2
InChIInChI=1S/C18H16O2/c1-19-15-11-5-9-13-7-3-4-8-14-10-6-12-16(20-2)18(14)17(13)15/h3-12H,1-2H3/b4-3-,7-3-,8-4-,13-7-,14-8-,18-17-
InChIKeyNUTLXEPVSUDTLD-TVEGTSRISA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds2

About (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 6536678) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID6536678
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=C/C=C\C=2
InChIInChI=1S/C18H16O2/c1-19-15-11-5-9-13-7-3-4-8-14-10-6-12-16(20-2)18(14)17(13)15/h3-12H,1-2H3/b4-3-,7-3-,8-4-,13-7-,14-8-,18-17-
InChIKeyNUTLXEPVSUDTLD-TVEGTSRISA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

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CID 15241078
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
2,7-Dimethoxybiphenylene
CID 11287311
(1Z)-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,9,11,13,15-heptaene
CID 54156978
(1Z,7Z,9Z,11Z)-9,10-dibromo-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 11304739
(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 12626728
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CID 12845838
8-Lithio-1-methoxynaphthalene
CID 13417963
(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 15425792
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
CID 25188011
1-Methoxy-2,5-dihydropropenylbenzene
CID 129805432

Frequently Asked Questions

What is the IUPAC name of (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 6536678) is (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is COc1cccc2/c1=c1/c(OC)ccc/c1=C/C=C\C=2.
What is the InChIKey of (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is NUTLXEPVSUDTLD-TVEGTSRISA-N. The full InChI is InChI=1S/C18H16O2/c1-19-15-11-5-9-13-7-3-4-8-14-10-6-12-16(20-2)18(14)17(13)15/h3-12H,1-2H3/b4-3-,7-3-,8-4-,13-7-,14-8-,18-17-.
What are the key properties of (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 264.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 6536678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).