(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

C18H14Br2O2 — CID 11304739

IUPAC(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
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=C/C(Br)=C(Br)\C=2
InChIInChI=1S/C18H14Br2O2/c1-21-15-7-3-5-11-9-13(19)14(20)10-12-6-4-8-16(22-2)18(12)17(11)15/h3-10H,1-2H3/b11-9-,12-10-,13-9+,14-10+,14-13-,18-17-
InChIKeyCKXAAYMGCIEVOH-BHDMITAHSA-N
MW422.12 g/mol
LogP3.57
Rot. Bonds2

About (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

(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 (PubChem CID 11304739) has the molecular formula C18H14Br2O2 and a molecular weight of 422.12 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11304739
Molecular FormulaC18H14Br2O2
Molecular Weight422.12 g/mol
Exact Mass419.94
IUPAC Name(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
SMILESCOc1cccc2/c1=c1/c(OC)ccc/c1=C/C(Br)=C(Br)\C=2
InChIInChI=1S/C18H14Br2O2/c1-21-15-7-3-5-11-9-13(19)14(20)10-12-6-4-8-16(22-2)18(12)17(11)15/h3-10H,1-2H3/b11-9-,12-10-,13-9+,14-10+,14-13-,18-17-
InChIKeyCKXAAYMGCIEVOH-BHDMITAHSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.12
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (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 with MolForge

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Related Compounds

(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
(5Z,6E)-5,6-bis(bromomethylidene)-1-methoxycyclohexa-1,3-diene
CID 134985999
1-Bromo-4-(4-bromo-3-methoxy-2,6-dimethyl-5-methylidenecyclohexa-1,3-dien-1-yl)oxy-2-methoxy-3,5-dimethyl-6-methylidenecyclohexa-1,3-diene
CID 20379285
3-bromo-7-methoxy-5H-chromene
CID 87379599
5-Bromo-1,2-dimethoxy-6-methylidenecyclohexa-1,3-diene
CID 89106575
3-Bromo-1,2-dimethoxy-5-(methoxymethylidene)cyclohexa-1,3-diene
CID 141361531
(4aZ,8aZ,12aZ,16aZ)-1,16-dibromo-8,9-dimethoxytetraphenylene
CID 141477194
(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene;ethane
CID 143422302
(5Z)-5-(2-bromoprop-2-enylidene)-2-methoxy-6-methylidenecyclohexa-1,3-diene
CID 144088613
3,16-Dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 5245588
6-Bromo-1,3-dimethoxy-5-methylidenecyclohexa-1,3-diene
CID 102461303
(5E)-1-bromo-4-methoxy-6-methylidene-5-[(Z)-pent-3-enylidene]cyclohexa-1,3-diene
CID 143422303

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cccc2/c1=c1/c(OC)ccc/c1=C/C(Br)=C(Br)\C=2.
What is the InChIKey of (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?
The InChIKey is CKXAAYMGCIEVOH-BHDMITAHSA-N. The full InChI is InChI=1S/C18H14Br2O2/c1-21-15-7-3-5-11-9-13(19)14(20)10-12-6-4-8-16(22-2)18(12)17(11)15/h3-10H,1-2H3/b11-9-,12-10-,13-9+,14-10+,14-13-,18-17-.
What are the key properties of (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?
(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 has a molecular weight of 422.12 g/mol, XLogP of 3.57, 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)-9,10-dibromo-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 11304739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).