5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene

C70H90Br6Cl4O10 — CID 54254510

IUPAC5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene
SMILESCCCc1cc(OCC=C(Br)Br)cc(CC)c1OC.CCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OC.CCc1cc(OCC=C(Br)Br)cc(CC)c1OC.CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OC.COc1c(C)cc(OCC=C(Br)Br)cc1C
InChIInChI=1S/C15H20Br2O2.C15H20Cl2O2.C14H18Br2O2.C14H18Cl2O2.C12H14Br2O2/c2*1-4-6-12-10-13(19-8-7-14(16)17)9-11(5-2)15(12)18-3;2*1-4-10-8-12(18-7-6-13(15)16)9-11(5-2)14(10)17-3;1-8-6-10(16-5-4-11(13)14)7-9(2)12(8)15-3/h2*7,9-10H,4-6,8H2,1-3H3;2*6,8-9H,4-5,7H2,1-3H3;4,6-7H,5H2,1-3H3
InChIKeyQZBFUVSFHHPEBQ-UHFFFAOYSA-N
MW1712.72 g/mol
LogP23.80
Rot. Bonds30

About 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene

5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene (PubChem CID 54254510) has the molecular formula C70H90Br6Cl4O10 and a molecular weight of 1712.72 g/mol. Its IUPAC name is 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene.

Molecular Properties

Compound Name5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene
PubChem CID54254510
Molecular FormulaC70H90Br6Cl4O10
Molecular Weight1712.72 g/mol
Exact Mass1704.04
IUPAC Name5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene
SMILESCCCc1cc(OCC=C(Br)Br)cc(CC)c1OC.CCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OC.CCc1cc(OCC=C(Br)Br)cc(CC)c1OC.CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OC.COc1c(C)cc(OCC=C(Br)Br)cc1C
InChIInChI=1S/C15H20Br2O2.C15H20Cl2O2.C14H18Br2O2.C14H18Cl2O2.C12H14Br2O2/c2*1-4-6-12-10-13(19-8-7-14(16)17)9-11(5-2)15(12)18-3;2*1-4-10-8-12(18-7-6-13(15)16)9-11(5-2)14(10)17-3;1-8-6-10(16-5-4-11(13)14)7-9(2)12(8)15-3/h2*7,9-10H,4-6,8H2,1-3H3;2*6,8-9H,4-5,7H2,1-3H3;4,6-7H,5H2,1-3H3
InChIKeyQZBFUVSFHHPEBQ-UHFFFAOYSA-N
XLogP23.80
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.72
LogP ≤ 523.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene?
The IUPAC name of 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene (CID 54254510) is 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene.
What is the SMILES notation for 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene?
The canonical SMILES for 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene is CCCc1cc(OCC=C(Br)Br)cc(CC)c1OC.CCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OC.CCc1cc(OCC=C(Br)Br)cc(CC)c1OC.CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OC.COc1c(C)cc(OCC=C(Br)Br)cc1C.
What is the InChIKey of 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene?
The InChIKey is QZBFUVSFHHPEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O2.C15H20Cl2O2.C14H18Br2O2.C14H18Cl2O2.C12H14Br2O2/c2*1-4-6-12-10-13(19-8-7-14(16)17)9-11(5-2)15(12)18-3;2*1-4-10-8-12(18-7-6-13(15)16)9-11(5-2)14(10)17-3;1-8-6-10(16-5-4-11(13)14)7-9(2)12(8)15-3/h2*7,9-10H,4-6,8H2,1-3H3;2*6,8-9H,4-5,7H2,1-3H3;4,6-7H,5H2,1-3H3.
What are the key properties of 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene?
5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene has a molecular weight of 1712.72 g/mol, XLogP of 23.80, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene is sourced from PubChem (CID 54254510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).