1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene

C94H156O8 — CID 162024464

IUPAC1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene
SMILESCCCCC(CC)COc1cc(C)c(OCC(CC)CCCC)cc1C.CCCCCCCCOc1cc(C)c(OCCCCCCCC)cc1C.Cc1cc(OCC2CCCCC2)c(C)cc1OCC1CCCCC1.Cc1cc(OCCC2CCCCC2)c(C)cc1OCCC1CCCCC1
InChIInChI=1S/C24H38O2.2C24H42O2.C22H34O2/c1-19-17-24(26-16-14-22-11-7-4-8-12-22)20(2)18-23(19)25-15-13-21-9-5-3-6-10-21;1-7-11-13-21(9-3)17-25-23-15-20(6)24(16-19(23)5)26-18-22(10-4)14-12-8-2;1-5-7-9-11-13-15-17-25-23-19-22(4)24(20-21(23)3)26-18-16-14-12-10-8-6-2;1-17-13-22(24-16-20-11-7-4-8-12-20)18(2)14-21(17)23-15-19-9-5-3-6-10-19/h17-18,21-22H,3-16H2,1-2H3;15-16,21-22H,7-14,17-18H2,1-6H3;19-20H,5-18H2,1-4H3;13-14,19-20H,3-12,15-16H2,1-2H3
InChIKeyYVELHIVYEUJSDA-UHFFFAOYSA-N
MW1414.27 g/mol
LogP28.50
Rot. Bonds44

About 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene

1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene (PubChem CID 162024464) has the molecular formula C94H156O8 and a molecular weight of 1414.27 g/mol. Its IUPAC name is 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene.

Molecular Properties

Compound Name1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene
PubChem CID162024464
Molecular FormulaC94H156O8
Molecular Weight1414.27 g/mol
Exact Mass1413.18
IUPAC Name1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene
SMILESCCCCC(CC)COc1cc(C)c(OCC(CC)CCCC)cc1C.CCCCCCCCOc1cc(C)c(OCCCCCCCC)cc1C.Cc1cc(OCC2CCCCC2)c(C)cc1OCC1CCCCC1.Cc1cc(OCCC2CCCCC2)c(C)cc1OCCC1CCCCC1
InChIInChI=1S/C24H38O2.2C24H42O2.C22H34O2/c1-19-17-24(26-16-14-22-11-7-4-8-12-22)20(2)18-23(19)25-15-13-21-9-5-3-6-10-21;1-7-11-13-21(9-3)17-25-23-15-20(6)24(16-19(23)5)26-18-22(10-4)14-12-8-2;1-5-7-9-11-13-15-17-25-23-19-22(4)24(20-21(23)3)26-18-16-14-12-10-8-6-2;1-17-13-22(24-16-20-11-7-4-8-12-20)18(2)14-21(17)23-15-19-9-5-3-6-10-19/h17-18,21-22H,3-16H2,1-2H3;15-16,21-22H,7-14,17-18H2,1-6H3;19-20H,5-18H2,1-4H3;13-14,19-20H,3-12,15-16H2,1-2H3
InChIKeyYVELHIVYEUJSDA-UHFFFAOYSA-N
XLogP28.50
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds44
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001414.27
LogP ≤ 528.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene with MolForge

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Related Compounds

7-(cyclohexylmethoxy)chromen-2-one;ethane;7-ethoxychromen-2-one;7-(2-ethylhexoxy)chromen-2-one;7-octoxychromen-2-one
CID 161444756
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1-(2-cyclopentylethoxy)-4,5-difluoro-2-methylbenzene
CID 114276820
3-ethylheptoxymethylcyclohexane
CID 146361010
4-(2-ethylhexoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 78974790
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
5-(cyclohexylmethoxy)-6-methyl-2-[(1Z)-2-methylbuta-1,3-dienyl]-1-benzofuran;methoxymethane;3-methylheptane
CID 143097033
butylcyclohexane;4-ethylundecane
CID 174961774
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
5-[4-(2-cyclohexylethyl)phenyl]-2-octoxybenzonitrile
CID 173349880

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene?
The IUPAC name of 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene (CID 162024464) is 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene.
What is the SMILES notation for 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene?
The canonical SMILES for 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene is CCCCC(CC)COc1cc(C)c(OCC(CC)CCCC)cc1C.CCCCCCCCOc1cc(C)c(OCCCCCCCC)cc1C.Cc1cc(OCC2CCCCC2)c(C)cc1OCC1CCCCC1.Cc1cc(OCCC2CCCCC2)c(C)cc1OCCC1CCCCC1.
What is the InChIKey of 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene?
The InChIKey is YVELHIVYEUJSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2.2C24H42O2.C22H34O2/c1-19-17-24(26-16-14-22-11-7-4-8-12-22)20(2)18-23(19)25-15-13-21-9-5-3-6-10-21;1-7-11-13-21(9-3)17-25-23-15-20(6)24(16-19(23)5)26-18-22(10-4)14-12-8-2;1-5-7-9-11-13-15-17-25-23-19-22(4)24(20-21(23)3)26-18-16-14-12-10-8-6-2;1-17-13-22(24-16-20-11-7-4-8-12-20)18(2)14-21(17)23-15-19-9-5-3-6-10-19/h17-18,21-22H,3-16H2,1-2H3;15-16,21-22H,7-14,17-18H2,1-6H3;19-20H,5-18H2,1-4H3;13-14,19-20H,3-12,15-16H2,1-2H3.
What are the key properties of 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene?
1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene has a molecular weight of 1414.27 g/mol, XLogP of 28.50, 44 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-cyclohexylethoxy)-2,5-dimethylbenzene;1,4-bis(cyclohexylmethoxy)-2,5-dimethylbenzene;1,4-bis(2-ethylhexoxy)-2,5-dimethylbenzene;1,4-dimethyl-2,5-dioctoxybenzene is sourced from PubChem (CID 162024464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).