1-ethyl-2-(2-methylbutyl)benzene

C13H20 — CID 91267290

IUPAC1-ethyl-2-(2-methylbutyl)benzene
SMILESCCc1ccccc1CC(C)CC
InChIInChI=1S/C13H20/c1-4-11(3)10-13-9-7-6-8-12(13)5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyRAMSGWJKLGEFGG-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.84
Rot. Bonds4

About 1-ethyl-2-(2-methylbutyl)benzene

1-ethyl-2-(2-methylbutyl)benzene (PubChem CID 91267290) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylbutyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-(2-methylbutyl)benzene
PubChem CID91267290
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethyl-2-(2-methylbutyl)benzene
SMILESCCc1ccccc1CC(C)CC
InChIInChI=1S/C13H20/c1-4-11(3)10-13-9-7-6-8-12(13)5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyRAMSGWJKLGEFGG-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(2-methylbutyl)phenyl]methanol
CID 66698085
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene
CID 123267472
1-chloro-4-[2-(2-methylbutyl)phenyl]benzene
CID 143786749
1-[2-(2-methylbutyl)phenoxy]propan-2-ol
CID 59277976
CID 166548748
CID 166548748
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylbutyl)benzene?
The IUPAC name of 1-ethyl-2-(2-methylbutyl)benzene (CID 91267290) is 1-ethyl-2-(2-methylbutyl)benzene.
What is the SMILES notation for 1-ethyl-2-(2-methylbutyl)benzene?
The canonical SMILES for 1-ethyl-2-(2-methylbutyl)benzene is CCc1ccccc1CC(C)CC.
What is the InChIKey of 1-ethyl-2-(2-methylbutyl)benzene?
The InChIKey is RAMSGWJKLGEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-11(3)10-13-9-7-6-8-12(13)5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-ethyl-2-(2-methylbutyl)benzene?
1-ethyl-2-(2-methylbutyl)benzene has a molecular weight of 176.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylbutyl)benzene is sourced from PubChem (CID 91267290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).