ethylbenzene;ethylcyclobutane;formic acid

C15H24O2 — CID 174407039

IUPACethylbenzene;ethylcyclobutane;formic acid
SMILESCCC1CCC1.CCc1ccccc1.O=CO
InChIInChI=1S/C8H10.C6H12.CH2O2/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5-6;2-1-3/h3-7H,2H2,1H3;6H,2-5H2,1H3;1H,(H,2,3)
InChIKeyDHIXOKDWVDJSLV-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.15
Rot. Bonds2

About ethylbenzene;ethylcyclobutane;formic acid

ethylbenzene;ethylcyclobutane;formic acid (PubChem CID 174407039) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is ethylbenzene;ethylcyclobutane;formic acid.

Molecular Properties

Compound Nameethylbenzene;ethylcyclobutane;formic acid
PubChem CID174407039
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Nameethylbenzene;ethylcyclobutane;formic acid
SMILESCCC1CCC1.CCc1ccccc1.O=CO
InChIInChI=1S/C8H10.C6H12.CH2O2/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5-6;2-1-3/h3-7H,2H2,1H3;6H,2-5H2,1H3;1H,(H,2,3)
InChIKeyDHIXOKDWVDJSLV-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 90861705
2-(3-ethylcyclohexyl)-1-phenylethanone
CID 79428507
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
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Frequently Asked Questions

What is the IUPAC name of ethylbenzene;ethylcyclobutane;formic acid?
The IUPAC name of ethylbenzene;ethylcyclobutane;formic acid (CID 174407039) is ethylbenzene;ethylcyclobutane;formic acid.
What is the SMILES notation for ethylbenzene;ethylcyclobutane;formic acid?
The canonical SMILES for ethylbenzene;ethylcyclobutane;formic acid is CCC1CCC1.CCc1ccccc1.O=CO.
What is the InChIKey of ethylbenzene;ethylcyclobutane;formic acid?
The InChIKey is DHIXOKDWVDJSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H12.CH2O2/c1-2-8-6-4-3-5-7-8;1-2-6-4-3-5-6;2-1-3/h3-7H,2H2,1H3;6H,2-5H2,1H3;1H,(H,2,3).
What are the key properties of ethylbenzene;ethylcyclobutane;formic acid?
ethylbenzene;ethylcyclobutane;formic acid has a molecular weight of 236.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;ethylcyclobutane;formic acid is sourced from PubChem (CID 174407039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).