1,3-bis(2-ethylbutoxy)benzene

C18H30O2 — CID 118415236

IUPAC1,3-bis(2-ethylbutoxy)benzene
SMILESCCC(CC)COc1cccc(OCC(CC)CC)c1
InChIInChI=1S/C18H30O2/c1-5-15(6-2)13-19-17-10-9-11-18(12-17)20-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyHJDSGJBKIFWGON-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.32
Rot. Bonds10

About 1,3-bis(2-ethylbutoxy)benzene

1,3-bis(2-ethylbutoxy)benzene (PubChem CID 118415236) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1,3-bis(2-ethylbutoxy)benzene.

Molecular Properties

Compound Name1,3-bis(2-ethylbutoxy)benzene
PubChem CID118415236
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1,3-bis(2-ethylbutoxy)benzene
SMILESCCC(CC)COc1cccc(OCC(CC)CC)c1
InChIInChI=1S/C18H30O2/c1-5-15(6-2)13-19-17-10-9-11-18(12-17)20-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyHJDSGJBKIFWGON-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1-(2-ethylbutoxy)-3-prop-1-ynylbenzene
CID 68859858
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399
2-[(3-ethoxyphenoxy)methyl]butane-1-sulfonyl chloride
CID 64999162
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
3-[3-(2-ethylbutoxy)phenyl]propylhydrazine
CID 170000412
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
3-[3-(2-ethylbutoxy)-2-hydroxypropoxy]phenol
CID 154641760
(2S)-3-[3-(2-ethylbutoxy)phenyl]-2-nitrosopropan-1-amine
CID 163746108

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethylbutoxy)benzene?
The IUPAC name of 1,3-bis(2-ethylbutoxy)benzene (CID 118415236) is 1,3-bis(2-ethylbutoxy)benzene.
What is the SMILES notation for 1,3-bis(2-ethylbutoxy)benzene?
The canonical SMILES for 1,3-bis(2-ethylbutoxy)benzene is CCC(CC)COc1cccc(OCC(CC)CC)c1.
What is the InChIKey of 1,3-bis(2-ethylbutoxy)benzene?
The InChIKey is HJDSGJBKIFWGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-15(6-2)13-19-17-10-9-11-18(12-17)20-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of 1,3-bis(2-ethylbutoxy)benzene?
1,3-bis(2-ethylbutoxy)benzene has a molecular weight of 278.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethylbutoxy)benzene is sourced from PubChem (CID 118415236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).