ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene

C18H32O2 — CID 144864850

IUPACethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene
SMILESCC.Cc1ccc(COC(C)(C)CCOC(C)C)cc1
InChIInChI=1S/C16H26O2.C2H6/c1-13(2)17-11-10-16(4,5)18-12-15-8-6-14(3)7-9-15;1-2/h6-9,13H,10-12H2,1-5H3;1-2H3
InChIKeyGLKGFFGNUZBFRJ-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.13
Rot. Bonds7

About ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene

ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene (PubChem CID 144864850) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene
PubChem CID144864850
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Nameethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene
SMILESCC.Cc1ccc(COC(C)(C)CCOC(C)C)cc1
InChIInChI=1S/C16H26O2.C2H6/c1-13(2)17-11-10-16(4,5)18-12-15-8-6-14(3)7-9-15;1-2/h6-9,13H,10-12H2,1-5H3;1-2H3
InChIKeyGLKGFFGNUZBFRJ-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(2-methyl-4-prop-1-en-2-yloxybutan-2-yl)oxymethyl]benzene
CID 131994478
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
2-methyl-2-[(4-methylphenyl)methoxy]propan-1-amine
CID 65053113
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
O-ethyl 4-[3-[[4-(5-ethoxy-2-methyl-5-sulfanylidenepentan-2-yl)oxy-2-methylbutan-2-yl]oxy-[2-[[4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]phenyl]methylamino]ethoxy]phosphoryl]oxy-3-methylbutoxy]-4-methylpentanethioate
CID 121265134
1-(difluoromethoxymethyl)-4-methylbenzene;ethane
CID 178015082
1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxy-4-nonylbenzene
CID 91461298
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
CID 106665055
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955
1-(difluoromethoxymethyl)-4-methylbenzene
CID 162716622
(E)-3,3-dimethyl-N-[(4-methylphenyl)methoxy]butan-2-imine
CID 88538917

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene?
The IUPAC name of ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene (CID 144864850) is ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene is CC.Cc1ccc(COC(C)(C)CCOC(C)C)cc1.
What is the InChIKey of ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene?
The InChIKey is GLKGFFGNUZBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C2H6/c1-13(2)17-11-10-16(4,5)18-12-15-8-6-14(3)7-9-15;1-2/h6-9,13H,10-12H2,1-5H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene?
ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene has a molecular weight of 280.45 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 144864850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).