(2-ethyl-2-methylcyclobutyl)benzene

C13H18 — CID 173466674

IUPAC(2-ethyl-2-methylcyclobutyl)benzene
SMILESCCC1(C)CCC1c1ccccc1
InChIInChI=1S/C13H18/c1-3-13(2)10-9-12(13)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeyZDGDCXHXROBAJN-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds2

About (2-ethyl-2-methylcyclobutyl)benzene

(2-ethyl-2-methylcyclobutyl)benzene (PubChem CID 173466674) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is (2-ethyl-2-methylcyclobutyl)benzene.

Molecular Properties

Compound Name(2-ethyl-2-methylcyclobutyl)benzene
PubChem CID173466674
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name(2-ethyl-2-methylcyclobutyl)benzene
SMILESCCC1(C)CCC1c1ccccc1
InChIInChI=1S/C13H18/c1-3-13(2)10-9-12(13)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3
InChIKeyZDGDCXHXROBAJN-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methylcyclobutyl)benzene?
The IUPAC name of (2-ethyl-2-methylcyclobutyl)benzene (CID 173466674) is (2-ethyl-2-methylcyclobutyl)benzene.
What is the SMILES notation for (2-ethyl-2-methylcyclobutyl)benzene?
The canonical SMILES for (2-ethyl-2-methylcyclobutyl)benzene is CCC1(C)CCC1c1ccccc1.
What is the InChIKey of (2-ethyl-2-methylcyclobutyl)benzene?
The InChIKey is ZDGDCXHXROBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-13(2)10-9-12(13)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3.
What are the key properties of (2-ethyl-2-methylcyclobutyl)benzene?
(2-ethyl-2-methylcyclobutyl)benzene has a molecular weight of 174.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methylcyclobutyl)benzene is sourced from PubChem (CID 173466674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).