(3-methyl-2-propan-2-yloxybutyl)benzene

C14H22O — CID 3839106

IUPAC(3-methyl-2-propan-2-yloxybutyl)benzene
SMILESCC(C)OC(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H22O/c1-11(2)14(15-12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3
InChIKeyGAYFKFRBNDKRNB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.68
Rot. Bonds5

About (3-methyl-2-propan-2-yloxybutyl)benzene

(3-methyl-2-propan-2-yloxybutyl)benzene (PubChem CID 3839106) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (3-methyl-2-propan-2-yloxybutyl)benzene.

Molecular Properties

Compound Name(3-methyl-2-propan-2-yloxybutyl)benzene
PubChem CID3839106
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(3-methyl-2-propan-2-yloxybutyl)benzene
SMILESCC(C)OC(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H22O/c1-11(2)14(15-12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3
InChIKeyGAYFKFRBNDKRNB-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-methyl-2-propan-2-yloxybutyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
ethane;2-methylpropylbenzene
CID 162200929
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
[dimethyl(1-phenylpropan-2-yl)silyl]oxy-dimethyl-(1-phenylpropan-2-yl)silane
CID 67683953
benzylbenzene;methoxymethane
CID 161110966
[(2S,3S)-2-methoxy-3-methylhex-4-ynyl]benzene
CID 10821998
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
CID 145053413

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propan-2-yloxybutyl)benzene?
The IUPAC name of (3-methyl-2-propan-2-yloxybutyl)benzene (CID 3839106) is (3-methyl-2-propan-2-yloxybutyl)benzene.
What is the SMILES notation for (3-methyl-2-propan-2-yloxybutyl)benzene?
The canonical SMILES for (3-methyl-2-propan-2-yloxybutyl)benzene is CC(C)OC(Cc1ccccc1)C(C)C.
What is the InChIKey of (3-methyl-2-propan-2-yloxybutyl)benzene?
The InChIKey is GAYFKFRBNDKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)14(15-12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3.
What are the key properties of (3-methyl-2-propan-2-yloxybutyl)benzene?
(3-methyl-2-propan-2-yloxybutyl)benzene has a molecular weight of 206.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propan-2-yloxybutyl)benzene is sourced from PubChem (CID 3839106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).