ethylbenzene;methylcyclobutane

C13H20 — CID 176989756

IUPACethylbenzene;methylcyclobutane
SMILESCC1CCC1.CCc1ccccc1
InChIInChI=1S/C8H10.C5H10/c1-2-8-6-4-3-5-7-8;1-5-3-2-4-5/h3-7H,2H2,1H3;5H,2-4H2,1H3
InChIKeyOSANDHFBZHJOGA-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.06
Rot. Bonds1

About ethylbenzene;methylcyclobutane

ethylbenzene;methylcyclobutane (PubChem CID 176989756) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethylbenzene;methylcyclobutane.

Molecular Properties

Compound Nameethylbenzene;methylcyclobutane
PubChem CID176989756
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nameethylbenzene;methylcyclobutane
SMILESCC1CCC1.CCc1ccccc1
InChIInChI=1S/C8H10.C5H10/c1-2-8-6-4-3-5-7-8;1-5-3-2-4-5/h3-7H,2H2,1H3;5H,2-4H2,1H3
InChIKeyOSANDHFBZHJOGA-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;methylcyclobutane?
The IUPAC name of ethylbenzene;methylcyclobutane (CID 176989756) is ethylbenzene;methylcyclobutane.
What is the SMILES notation for ethylbenzene;methylcyclobutane?
The canonical SMILES for ethylbenzene;methylcyclobutane is CC1CCC1.CCc1ccccc1.
What is the InChIKey of ethylbenzene;methylcyclobutane?
The InChIKey is OSANDHFBZHJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H10/c1-2-8-6-4-3-5-7-8;1-5-3-2-4-5/h3-7H,2H2,1H3;5H,2-4H2,1H3.
What are the key properties of ethylbenzene;methylcyclobutane?
ethylbenzene;methylcyclobutane has a molecular weight of 176.30 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;methylcyclobutane is sourced from PubChem (CID 176989756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).