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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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).