1-(2,3-dimethylbutan-2-yloxy)ethylbenzene

C14H22O — CID 154695390

IUPAC1-(2,3-dimethylbutan-2-yloxy)ethylbenzene
SMILESCC(OC(C)(C)C(C)C)c1ccccc1
InChIInChI=1S/C14H22O/c1-11(2)14(4,5)15-12(3)13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeyXGDAFBSKIQQVEU-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.20
Rot. Bonds4

About 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene

1-(2,3-dimethylbutan-2-yloxy)ethylbenzene (PubChem CID 154695390) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yloxy)ethylbenzene
PubChem CID154695390
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(2,3-dimethylbutan-2-yloxy)ethylbenzene
SMILESCC(OC(C)(C)C(C)C)c1ccccc1
InChIInChI=1S/C14H22O/c1-11(2)14(4,5)15-12(3)13-9-7-6-8-10-13/h6-12H,1-5H3
InChIKeyXGDAFBSKIQQVEU-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethoxy-di(propan-2-yl)silane
CID 173140132
1-phenylethyl nitrite
CID 18989891
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
CID 67208370
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
(2,4,4-trimethyl-3-phenylpentan-2-yl)oxysilane
CID 173016969
1-(disulfanyloxy)ethylbenzene
CID 139459005
trimethyl(1-phenylethoxy)silane
CID 519015
cumene;2-methoxy-2-methylpropane
CID 68666509
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
1-(chloromethoxy)ethylbenzene
CID 13140582
[(1R)-1-phenylethyl] formate
CID 76963066

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene?
The IUPAC name of 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene (CID 154695390) is 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene is CC(OC(C)(C)C(C)C)c1ccccc1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene?
The InChIKey is XGDAFBSKIQQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11(2)14(4,5)15-12(3)13-9-7-6-8-10-13/h6-12H,1-5H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene?
1-(2,3-dimethylbutan-2-yloxy)ethylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yloxy)ethylbenzene is sourced from PubChem (CID 154695390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).