[2-methyl-2-(3-methylbutoxy)propyl]benzene

C15H24O — CID 149129100

IUPAC[2-methyl-2-(3-methylbutoxy)propyl]benzene
SMILESCC(C)CCOC(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24O/c1-13(2)10-11-16-15(3,4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyRBVVHVYIHLXOBU-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.07
Rot. Bonds6

About [2-methyl-2-(3-methylbutoxy)propyl]benzene

[2-methyl-2-(3-methylbutoxy)propyl]benzene (PubChem CID 149129100) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [2-methyl-2-(3-methylbutoxy)propyl]benzene.

Molecular Properties

Compound Name[2-methyl-2-(3-methylbutoxy)propyl]benzene
PubChem CID149129100
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[2-methyl-2-(3-methylbutoxy)propyl]benzene
SMILESCC(C)CCOC(C)(C)Cc1ccccc1
InChIInChI=1S/C15H24O/c1-13(2)10-11-16-15(3,4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3
InChIKeyRBVVHVYIHLXOBU-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine
CID 114992850
ethane;(2-methyl-2-propan-2-yloxypropyl)benzene
CID 156811529
(2-methoxy-2-methylpropyl)benzene
CID 3842751
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
3-methylbutoxy(phenyl)methanediol
CID 143532405
[1-bromo-2-(3-methylbutoxy)propan-2-yl]benzene
CID 114772949
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 134204316
[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
CID 169096985
(2-methyl-1-phenylpropan-2-yl)oxymethyl formate
CID 87065928
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(3-methylbutoxy)propyl]benzene?
The IUPAC name of [2-methyl-2-(3-methylbutoxy)propyl]benzene (CID 149129100) is [2-methyl-2-(3-methylbutoxy)propyl]benzene.
What is the SMILES notation for [2-methyl-2-(3-methylbutoxy)propyl]benzene?
The canonical SMILES for [2-methyl-2-(3-methylbutoxy)propyl]benzene is CC(C)CCOC(C)(C)Cc1ccccc1.
What is the InChIKey of [2-methyl-2-(3-methylbutoxy)propyl]benzene?
The InChIKey is RBVVHVYIHLXOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)10-11-16-15(3,4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3.
What are the key properties of [2-methyl-2-(3-methylbutoxy)propyl]benzene?
[2-methyl-2-(3-methylbutoxy)propyl]benzene has a molecular weight of 220.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(3-methylbutoxy)propyl]benzene is sourced from PubChem (CID 149129100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).