1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid

C14H22O2 — CID 144560479

IUPAC1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
SMILESCC.Cc1cccc(C2CC2)c1C.O=CO
InChIInChI=1S/C11H14.C2H6.CH2O2/c1-8-4-3-5-11(9(8)2)10-6-7-10;1-2;2-1-3/h3-5,10H,6-7H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyPRPBGCXDXLISCP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.91
Rot. Bonds1

About 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid

1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid (PubChem CID 144560479) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid.

Molecular Properties

Compound Name1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
PubChem CID144560479
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
SMILESCC.Cc1cccc(C2CC2)c1C.O=CO
InChIInChI=1S/C11H14.C2H6.CH2O2/c1-8-4-3-5-11(9(8)2)10-6-7-10;1-2;2-1-3/h3-5,10H,6-7H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyPRPBGCXDXLISCP-UHFFFAOYSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid?
The IUPAC name of 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid (CID 144560479) is 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid.
What is the SMILES notation for 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid?
The canonical SMILES for 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid is CC.Cc1cccc(C2CC2)c1C.O=CO.
What is the InChIKey of 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid?
The InChIKey is PRPBGCXDXLISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C2H6.CH2O2/c1-8-4-3-5-11(9(8)2)10-6-7-10;1-2;2-1-3/h3-5,10H,6-7H2,1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid?
1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid has a molecular weight of 222.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid is sourced from PubChem (CID 144560479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).