formaldehyde;1-methyl-4-(2-methylbutyl)benzene

C13H20O — CID 143236225

IUPACformaldehyde;1-methyl-4-(2-methylbutyl)benzene
SMILESC=O.CCC(C)Cc1ccc(C)cc1
InChIInChI=1S/C12H18.CH2O/c1-4-10(2)9-12-7-5-11(3)6-8-12;1-2/h5-8,10H,4,9H2,1-3H3;1H2
InChIKeyXIJNLIZZXGKJRM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.40
Rot. Bonds3

About formaldehyde;1-methyl-4-(2-methylbutyl)benzene

formaldehyde;1-methyl-4-(2-methylbutyl)benzene (PubChem CID 143236225) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is formaldehyde;1-methyl-4-(2-methylbutyl)benzene.

Molecular Properties

Compound Nameformaldehyde;1-methyl-4-(2-methylbutyl)benzene
PubChem CID143236225
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameformaldehyde;1-methyl-4-(2-methylbutyl)benzene
SMILESC=O.CCC(C)Cc1ccc(C)cc1
InChIInChI=1S/C12H18.CH2O/c1-4-10(2)9-12-7-5-11(3)6-8-12;1-2/h5-8,10H,4,9H2,1-3H3;1H2
InChIKeyXIJNLIZZXGKJRM-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-methyl-4-[4-[4-(2-methylbutyl)phenyl]phenoxy]benzene
CID 20641212
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1-methyl-4-(2-methyl-3-nitropropyl)benzene
CID 143236212
1-[3-(1-fluorobutan-2-yloxy)-2-methylpropyl]-4-methylbenzene
CID 170359359
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-methyl-4-(2-methylbutyl)benzene?
The IUPAC name of formaldehyde;1-methyl-4-(2-methylbutyl)benzene (CID 143236225) is formaldehyde;1-methyl-4-(2-methylbutyl)benzene.
What is the SMILES notation for formaldehyde;1-methyl-4-(2-methylbutyl)benzene?
The canonical SMILES for formaldehyde;1-methyl-4-(2-methylbutyl)benzene is C=O.CCC(C)Cc1ccc(C)cc1.
What is the InChIKey of formaldehyde;1-methyl-4-(2-methylbutyl)benzene?
The InChIKey is XIJNLIZZXGKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.CH2O/c1-4-10(2)9-12-7-5-11(3)6-8-12;1-2/h5-8,10H,4,9H2,1-3H3;1H2.
What are the key properties of formaldehyde;1-methyl-4-(2-methylbutyl)benzene?
formaldehyde;1-methyl-4-(2-methylbutyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-methyl-4-(2-methylbutyl)benzene is sourced from PubChem (CID 143236225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).