bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)

C254H448Br2Cl2O2 — CID 162039295

IUPACbromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
SMILESCBr.CBr.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCCCC1.CCC.CCC.CCl.CCl.COC.COC.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H16.11C8H10.C7H14.11C7H8.2C3H8.2C2H6O.30C2H6.2CH3Br.2CH3Cl/c12*1-7-3-5-8(2)6-4-7;12*1-7-5-3-2-4-6-7;4*1-3-2;34*1-2/h7-8H,3-6H2,1-2H3;11*3-6H,1-2H3;7H,2-6H2,1H3;11*2-6H,1H3;2*3H2,1-2H3;2*1-2H3;30*1-2H3;4*1H3
InChIKeyYXBDNZDHYCRPDX-UHFFFAOYSA-N
MW3765.09 g/mol
LogP90.58
Rot. Bonds

About bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)

bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene) (PubChem CID 162039295) has the molecular formula C254H448Br2Cl2O2 and a molecular weight of 3765.09 g/mol. Its IUPAC name is bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene).

Molecular Properties

Compound Namebromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
PubChem CID162039295
Molecular FormulaC254H448Br2Cl2O2
Molecular Weight3765.09 g/mol
Exact Mass3759.27
IUPAC Namebromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
SMILESCBr.CBr.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCCCC1.CCC.CCC.CCl.CCl.COC.COC.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H16.11C8H10.C7H14.11C7H8.2C3H8.2C2H6O.30C2H6.2CH3Br.2CH3Cl/c12*1-7-3-5-8(2)6-4-7;12*1-7-5-3-2-4-6-7;4*1-3-2;34*1-2/h7-8H,3-6H2,1-2H3;11*3-6H,1-2H3;7H,2-6H2,1H3;11*2-6H,1H3;2*3H2,1-2H3;2*1-2H3;30*1-2H3;4*1H3
InChIKeyYXBDNZDHYCRPDX-UHFFFAOYSA-N
XLogP90.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms260
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003765.09
LogP ≤ 590.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)?
The IUPAC name of bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene) (CID 162039295) is bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene).
What is the SMILES notation for bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)?
The canonical SMILES for bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene) is CBr.CBr.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC(C)CC1.CC1CCCCC1.CCC.CCC.CCl.CCl.COC.COC.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)?
The InChIKey is YXBDNZDHYCRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.11C8H10.C7H14.11C7H8.2C3H8.2C2H6O.30C2H6.2CH3Br.2CH3Cl/c12*1-7-3-5-8(2)6-4-7;12*1-7-5-3-2-4-6-7;4*1-3-2;34*1-2/h7-8H,3-6H2,1-2H3;11*3-6H,1-2H3;7H,2-6H2,1H3;11*2-6H,1H3;2*3H2,1-2H3;2*1-2H3;30*1-2H3;4*1H3.
What are the key properties of bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)?
bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene) has a molecular weight of 3765.09 g/mol, XLogP of 90.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene) is sourced from PubChem (CID 162039295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).