5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene

C114H158Cl8O8 — CID 126609974

IUPAC5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene
SMILESCCCCCCOc1c(C)cc(CCl)cc1Cc1cc(CCl)cc(Cc2cc(CCl)cc(Cc3cc(CCl)cc(Cc4cc(CCl)cc(Cc5cc(CCl)cc(Cc6cc(CCl)cc(Cc7cc(CCl)cc(CC)c7OCCCCCC)c6OCCCCCC)c5OCCCCCC)c4OCCCCCC)c3OCCCCCC)c2OCCCCCC)c1OCCCCCC
InChIInChI=1S/C114H158Cl8O8/c1-11-20-28-36-44-123-107-83(10)52-84(75-115)54-93(107)68-95-56-86(77-117)58-97(109(95)125-46-38-30-22-13-3)70-99-60-88(79-119)62-101(111(99)127-48-40-32-24-15-5)72-103-64-90(81-121)66-105(113(103)129-50-42-34-26-17-7)74-106-67-91(82-122)65-104(114(106)130-51-43-35-27-18-8)73-102-63-89(80-120)61-100(112(102)128-49-41-33-25-16-6)71-98-59-87(78-118)57-96(110(98)126-47-39-31-23-14-4)69-94-55-85(76-116)53-92(19-9)108(94)124-45-37-29-21-12-2/h52-67H,11-51,68-82H2,1-10H3
InChIKeyGUUGYBDSDBEPCU-UHFFFAOYSA-N
MW1940.13 g/mol
LogP35.28
Rot. Bonds71

About 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene

5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene (PubChem CID 126609974) has the molecular formula C114H158Cl8O8 and a molecular weight of 1940.13 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene.

Molecular Properties

Compound Name5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene
PubChem CID126609974
Molecular FormulaC114H158Cl8O8
Molecular Weight1940.13 g/mol
Exact Mass1934.95
IUPAC Name5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene
SMILESCCCCCCOc1c(C)cc(CCl)cc1Cc1cc(CCl)cc(Cc2cc(CCl)cc(Cc3cc(CCl)cc(Cc4cc(CCl)cc(Cc5cc(CCl)cc(Cc6cc(CCl)cc(Cc7cc(CCl)cc(CC)c7OCCCCCC)c6OCCCCCC)c5OCCCCCC)c4OCCCCCC)c3OCCCCCC)c2OCCCCCC)c1OCCCCCC
InChIInChI=1S/C114H158Cl8O8/c1-11-20-28-36-44-123-107-83(10)52-84(75-115)54-93(107)68-95-56-86(77-117)58-97(109(95)125-46-38-30-22-13-3)70-99-60-88(79-119)62-101(111(99)127-48-40-32-24-15-5)72-103-64-90(81-121)66-105(113(103)129-50-42-34-26-17-7)74-106-67-91(82-122)65-104(114(106)130-51-43-35-27-18-8)73-102-63-89(80-120)61-100(112(102)128-49-41-33-25-16-6)71-98-59-87(78-118)57-96(110(98)126-47-39-31-23-14-4)69-94-55-85(76-116)53-92(19-9)108(94)124-45-37-29-21-12-2/h52-67H,11-51,68-82H2,1-10H3
InChIKeyGUUGYBDSDBEPCU-UHFFFAOYSA-N
XLogP35.28
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds71
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001940.13
LogP ≤ 535.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene with MolForge

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Related Compounds

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5-(chloromethyl)-1,2,3-tridodecoxybenzene
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2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
CID 54956349
5-bromo-1-(chloromethyl)-3-methyl-2-pentoxybenzene
CID 112621234
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
1-(chloromethyl)-3,5-di(nonoxy)benzene
CID 69306580
5-(chloromethyl)-1,3-dimethyl-2-(2-propylsulfonylethoxy)benzene
CID 106726480
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
(3,5-dibenzyl-4-dodecoxyphenyl)methyl-dodecoxyphosphinic acid
CID 54143753

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene?
The IUPAC name of 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene (CID 126609974) is 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene.
What is the SMILES notation for 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene?
The canonical SMILES for 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene is CCCCCCOc1c(C)cc(CCl)cc1Cc1cc(CCl)cc(Cc2cc(CCl)cc(Cc3cc(CCl)cc(Cc4cc(CCl)cc(Cc5cc(CCl)cc(Cc6cc(CCl)cc(Cc7cc(CCl)cc(CC)c7OCCCCCC)c6OCCCCCC)c5OCCCCCC)c4OCCCCCC)c3OCCCCCC)c2OCCCCCC)c1OCCCCCC.
What is the InChIKey of 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene?
The InChIKey is GUUGYBDSDBEPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H158Cl8O8/c1-11-20-28-36-44-123-107-83(10)52-84(75-115)54-93(107)68-95-56-86(77-117)58-97(109(95)125-46-38-30-22-13-3)70-99-60-88(79-119)62-101(111(99)127-48-40-32-24-15-5)72-103-64-90(81-121)66-105(113(103)129-50-42-34-26-17-7)74-106-67-91(82-122)65-104(114(106)130-51-43-35-27-18-8)73-102-63-89(80-120)61-100(112(102)128-49-41-33-25-16-6)71-98-59-87(78-118)57-96(110(98)126-47-39-31-23-14-4)69-94-55-85(76-116)53-92(19-9)108(94)124-45-37-29-21-12-2/h52-67H,11-51,68-82H2,1-10H3.
What are the key properties of 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene?
5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene has a molecular weight of 1940.13 g/mol, XLogP of 35.28, 71 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-[[5-(chloromethyl)-3-ethyl-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxyphenyl]methyl]-2-hexoxy-3-methylbenzene is sourced from PubChem (CID 126609974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).