1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene

C18H30O4 — CID 169285678

IUPAC1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
SMILESCC(C)(C)OCCOc1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C18H30O4/c1-17(2,3)21-13-11-19-15-9-7-8-10-16(15)20-12-14-22-18(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyMIPWPFXVGCABOE-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.07
Rot. Bonds8

About 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene

1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene (PubChem CID 169285678) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene.

Molecular Properties

Compound Name1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
PubChem CID169285678
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
SMILESCC(C)(C)OCCOc1ccccc1OCCOC(C)(C)C
InChIInChI=1S/C18H30O4/c1-17(2,3)21-13-11-19-15-9-7-8-10-16(15)20-12-14-22-18(4,5)6/h7-10H,11-14H2,1-6H3
InChIKeyMIPWPFXVGCABOE-UHFFFAOYSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.07
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

(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 114880008
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline
CID 112589966

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The IUPAC name of 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene (CID 169285678) is 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene.
What is the SMILES notation for 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The canonical SMILES for 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene is CC(C)(C)OCCOc1ccccc1OCCOC(C)(C)C.
What is the InChIKey of 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The InChIKey is MIPWPFXVGCABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-17(2,3)21-13-11-19-15-9-7-8-10-16(15)20-12-14-22-18(4,5)6/h7-10H,11-14H2,1-6H3.
What are the key properties of 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene has a molecular weight of 310.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene is sourced from PubChem (CID 169285678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).