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

C16H30O — CID 144538467

IUPACethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC.CC.Cc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C12H18O.2C2H6/c1-10-5-7-11(8-6-10)9-13-12(2,3)4;2*1-2/h5-8H,9H2,1-4H3;2*1-2H3
InChIKeyLFSJFQSGSBTLNJ-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.36
Rot. Bonds2

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

ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 144538467) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID144538467
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Nameethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC.CC.Cc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C12H18O.2C2H6/c1-10-5-7-11(8-6-10)9-13-12(2,3)4;2*1-2/h5-8H,9H2,1-4H3;2*1-2H3
InChIKeyLFSJFQSGSBTLNJ-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
2-methyl-2-[(4-methylphenyl)methoxy]propan-1-amine
CID 65053113
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
(4-methylphenyl)methyl hypochlorite
CID 174764062
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
ethane;1-methyl-4-[(2-methyl-4-propan-2-yloxybutan-2-yl)oxymethyl]benzene
CID 144864850
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
CID 146626149
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 144538467) is ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is CC.CC.Cc1ccc(COC(C)(C)C)cc1.
What is the InChIKey of ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is LFSJFQSGSBTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.2C2H6/c1-10-5-7-11(8-6-10)9-13-12(2,3)4;2*1-2/h5-8H,9H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 238.41 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 144538467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).