1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen

C17H30O2 — CID 158994420

IUPAC1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
SMILESCCC(C)(C)c1ccc(OC(C)OC(C)(C)C)cc1.[H][H]
InChIInChI=1S/C17H28O2.H2/c1-8-17(6,7)14-9-11-15(12-10-14)18-13(2)19-16(3,4)5;/h9-13H,8H2,1-7H3;1H
InChIKeyJQOHTQKJIHTKCB-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.16
Rot. Bonds5

About 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen

1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen (PubChem CID 158994420) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
PubChem CID158994420
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
SMILESCCC(C)(C)c1ccc(OC(C)OC(C)(C)C)cc1.[H][H]
InChIInChI=1S/C17H28O2.H2/c1-8-17(6,7)14-9-11-15(12-10-14)18-13(2)19-16(3,4)5;/h9-13H,8H2,1-7H3;1H
InChIKeyJQOHTQKJIHTKCB-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylbutan-2-yl)-4-[1-(2,2,3,3,3-pentafluoropropoxy)ethoxy]benzene
CID 20756247
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
CID 62214691
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63473433
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-(ethoxymethoxy)benzene;1-(1-ethoxyethoxy)-4-(2-methylbutan-2-yl)benzene
CID 162232854
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen (CID 158994420) is 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen is CCC(C)(C)c1ccc(OC(C)OC(C)(C)C)cc1.[H][H].
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen?
The InChIKey is JQOHTQKJIHTKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2.H2/c1-8-17(6,7)14-9-11-15(12-10-14)18-13(2)19-16(3,4)5;/h9-13H,8H2,1-7H3;1H.
What are the key properties of 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen?
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen has a molecular weight of 266.42 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen is sourced from PubChem (CID 158994420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).