(1-ethoxy-3-methylbutan-2-yl)benzene

C13H20O — CID 67083909

IUPAC(1-ethoxy-3-methylbutan-2-yl)benzene
SMILESCCOCC(c1ccccc1)C(C)C
InChIInChI=1S/C13H20O/c1-4-14-10-13(11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKeyQIMVONWCPKLYSG-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.46
Rot. Bonds5

About (1-ethoxy-3-methylbutan-2-yl)benzene

(1-ethoxy-3-methylbutan-2-yl)benzene (PubChem CID 67083909) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1-ethoxy-3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name(1-ethoxy-3-methylbutan-2-yl)benzene
PubChem CID67083909
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1-ethoxy-3-methylbutan-2-yl)benzene
SMILESCCOCC(c1ccccc1)C(C)C
InChIInChI=1S/C13H20O/c1-4-14-10-13(11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3
InChIKeyQIMVONWCPKLYSG-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
[(2S)-3,4-dimethyl-1-[6-[(2S)-3-methyl-2-phenylbutoxy]hexoxy]pentan-2-yl]benzene
CID 167001988
[(2S)-1-(difluoromethoxy)-3-methylbutan-2-yl]benzene
CID 118371685
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene
CID 174421855
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303
propyl 3-ethoxy-2-phenylpropanoate
CID 138629515
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylbutan-2-yl)benzene?
The IUPAC name of (1-ethoxy-3-methylbutan-2-yl)benzene (CID 67083909) is (1-ethoxy-3-methylbutan-2-yl)benzene.
What is the SMILES notation for (1-ethoxy-3-methylbutan-2-yl)benzene?
The canonical SMILES for (1-ethoxy-3-methylbutan-2-yl)benzene is CCOCC(c1ccccc1)C(C)C.
What is the InChIKey of (1-ethoxy-3-methylbutan-2-yl)benzene?
The InChIKey is QIMVONWCPKLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-14-10-13(11(2)3)12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylbutan-2-yl)benzene?
(1-ethoxy-3-methylbutan-2-yl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylbutan-2-yl)benzene is sourced from PubChem (CID 67083909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).