1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene

C16H20Cl2 — CID 88828564

IUPAC1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(CC=CCl)c(C)c(C)c1CC=CCl
InChIInChI=1S/C16H20Cl2/c1-11-12(2)16(8-6-10-18)14(4)13(3)15(11)7-5-9-17/h5-6,9-10H,7-8H2,1-4H3
InChIKeyYTOIYUQFLMSHLO-UHFFFAOYSA-N
MW283.24 g/mol
LogP5.51
Rot. Bonds4

About 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene

1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene (PubChem CID 88828564) has the molecular formula C16H20Cl2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene
PubChem CID88828564
Molecular FormulaC16H20Cl2
Molecular Weight283.24 g/mol
Exact Mass282.09
IUPAC Name1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(CC=CCl)c(C)c(C)c1CC=CCl
InChIInChI=1S/C16H20Cl2/c1-11-12(2)16(8-6-10-18)14(4)13(3)15(11)7-5-9-17/h5-6,9-10H,7-8H2,1-4H3
InChIKeyYTOIYUQFLMSHLO-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.24
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene (CID 88828564) is 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene is Cc1c(C)c(CC=CCl)c(C)c(C)c1CC=CCl.
What is the InChIKey of 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene?
The InChIKey is YTOIYUQFLMSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2/c1-11-12(2)16(8-6-10-18)14(4)13(3)15(11)7-5-9-17/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene?
1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene has a molecular weight of 283.24 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-chloroprop-2-enyl)-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 88828564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).