2-(3-ethyl-2,2-dimethylcyclopropyl)propanal

C10H18O — CID 89087106

IUPAC2-(3-ethyl-2,2-dimethylcyclopropyl)propanal
SMILESCCC1C(C(C)C=O)C1(C)C
InChIInChI=1S/C10H18O/c1-5-8-9(7(2)6-11)10(8,3)4/h6-9H,5H2,1-4H3
InChIKeyUSFZFOZAQKRGQQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds3

About 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal

2-(3-ethyl-2,2-dimethylcyclopropyl)propanal (PubChem CID 89087106) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal.

Molecular Properties

Compound Name2-(3-ethyl-2,2-dimethylcyclopropyl)propanal
PubChem CID89087106
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(3-ethyl-2,2-dimethylcyclopropyl)propanal
SMILESCCC1C(C(C)C=O)C1(C)C
InChIInChI=1S/C10H18O/c1-5-8-9(7(2)6-11)10(8,3)4/h6-9H,5H2,1-4H3
InChIKeyUSFZFOZAQKRGQQ-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
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 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal?
The IUPAC name of 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal (CID 89087106) is 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal.
What is the SMILES notation for 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal?
The canonical SMILES for 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal is CCC1C(C(C)C=O)C1(C)C.
What is the InChIKey of 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal?
The InChIKey is USFZFOZAQKRGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-8-9(7(2)6-11)10(8,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal?
2-(3-ethyl-2,2-dimethylcyclopropyl)propanal has a molecular weight of 154.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,2-dimethylcyclopropyl)propanal is sourced from PubChem (CID 89087106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).