1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)

C37H46O4 — CID 162153615

IUPAC1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)
SMILESC.CCc1ccc(CC)cc1.COCCOc1cccc2ccccc12.COCCOc1cccc2ccccc12
InChIInChI=1S/2C13H14O2.C10H14.CH4/c2*1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13;1-3-9-5-7-10(4-2)8-6-9;/h2*2-8H,9-10H2,1H3;5-8H,3-4H2,1-2H3;1H4
InChIKeyZLNPSHSRUDYIHG-UHFFFAOYSA-N
MW554.77 g/mol
LogP9.18
Rot. Bonds10

About 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)

1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene) (PubChem CID 162153615) has the molecular formula C37H46O4 and a molecular weight of 554.77 g/mol. Its IUPAC name is 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene).

Molecular Properties

Compound Name1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)
PubChem CID162153615
Molecular FormulaC37H46O4
Molecular Weight554.77 g/mol
Exact Mass554.34
IUPAC Name1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)
SMILESC.CCc1ccc(CC)cc1.COCCOc1cccc2ccccc12.COCCOc1cccc2ccccc12
InChIInChI=1S/2C13H14O2.C10H14.CH4/c2*1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13;1-3-9-5-7-10(4-2)8-6-9;/h2*2-8H,9-10H2,1H3;5-8H,3-4H2,1-2H3;1H4
InChIKeyZLNPSHSRUDYIHG-UHFFFAOYSA-N
XLogP9.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.77
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
1-butoxynaphthalene
CID 13262700
2-naphthalen-1-yloxyethyl acetate
CID 23049663
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2283150
1-(3-chloropropoxy)naphthalene
CID 12685615
lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)?
The IUPAC name of 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene) (CID 162153615) is 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene).
What is the SMILES notation for 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)?
The canonical SMILES for 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene) is C.CCc1ccc(CC)cc1.COCCOc1cccc2ccccc12.COCCOc1cccc2ccccc12.
What is the InChIKey of 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)?
The InChIKey is ZLNPSHSRUDYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14O2.C10H14.CH4/c2*1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13;1-3-9-5-7-10(4-2)8-6-9;/h2*2-8H,9-10H2,1H3;5-8H,3-4H2,1-2H3;1H4.
What are the key properties of 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)?
1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene) has a molecular weight of 554.77 g/mol, XLogP of 9.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene) is sourced from PubChem (CID 162153615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).