1-methyl-3-(2,4,4-trimethylpentoxy)benzene

C15H24O — CID 163995199

IUPAC1-methyl-3-(2,4,4-trimethylpentoxy)benzene
SMILESCc1cccc(OCC(C)CC(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-12-7-6-8-14(9-12)16-11-13(2)10-15(3,4)5/h6-9,13H,10-11H2,1-5H3
InChIKeyMZAHLYHSJCYERW-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.45
Rot. Bonds4

About 1-methyl-3-(2,4,4-trimethylpentoxy)benzene

1-methyl-3-(2,4,4-trimethylpentoxy)benzene (PubChem CID 163995199) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-3-(2,4,4-trimethylpentoxy)benzene.

Molecular Properties

Compound Name1-methyl-3-(2,4,4-trimethylpentoxy)benzene
PubChem CID163995199
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methyl-3-(2,4,4-trimethylpentoxy)benzene
SMILESCc1cccc(OCC(C)CC(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-12-7-6-8-14(9-12)16-11-13(2)10-15(3,4)5/h6-9,13H,10-11H2,1-5H3
InChIKeyMZAHLYHSJCYERW-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
4,4-dimethyl-2-[(3-methylphenoxy)methyl]pentanoic acid
CID 117242159
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-methyl-3-(2,4,4-trimethylpentoxy)benzene;(4E,7E)-pentadeca-4,7-diene;pentadecane;(4E,7E)-pentadeca-1,4,7-triene;(E)-pentadec-7-ene
CID 163995198
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
(1R)-2-(3-methylphenoxy)-1-pyridin-2-ylethanol
CID 129362885
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
[(2R)-1-chloro-3-(3-methylphenoxy)propan-2-yl]-propan-2-ylazanium
CID 6946774
N-methyl-1-(3-methylphenoxy)butan-2-amine
CID 62038283

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,4,4-trimethylpentoxy)benzene?
The IUPAC name of 1-methyl-3-(2,4,4-trimethylpentoxy)benzene (CID 163995199) is 1-methyl-3-(2,4,4-trimethylpentoxy)benzene.
What is the SMILES notation for 1-methyl-3-(2,4,4-trimethylpentoxy)benzene?
The canonical SMILES for 1-methyl-3-(2,4,4-trimethylpentoxy)benzene is Cc1cccc(OCC(C)CC(C)(C)C)c1.
What is the InChIKey of 1-methyl-3-(2,4,4-trimethylpentoxy)benzene?
The InChIKey is MZAHLYHSJCYERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12-7-6-8-14(9-12)16-11-13(2)10-15(3,4)5/h6-9,13H,10-11H2,1-5H3.
What are the key properties of 1-methyl-3-(2,4,4-trimethylpentoxy)benzene?
1-methyl-3-(2,4,4-trimethylpentoxy)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,4,4-trimethylpentoxy)benzene is sourced from PubChem (CID 163995199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).