1-buta-2,3-dienyl-2-ethylcyclopropane

C9H14 — CID 123511287

IUPAC1-buta-2,3-dienyl-2-ethylcyclopropane
SMILESC=C=CCC1CC1CC
InChIInChI=1S/C9H14/c1-3-5-6-9-7-8(9)4-2/h5,8-9H,1,4,6-7H2,2H3
InChIKeyAPZOIBXPWWRUIA-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.76
Rot. Bonds3

About 1-buta-2,3-dienyl-2-ethylcyclopropane

1-buta-2,3-dienyl-2-ethylcyclopropane (PubChem CID 123511287) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-buta-2,3-dienyl-2-ethylcyclopropane.

Molecular Properties

Compound Name1-buta-2,3-dienyl-2-ethylcyclopropane
PubChem CID123511287
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-buta-2,3-dienyl-2-ethylcyclopropane
SMILESC=C=CCC1CC1CC
InChIInChI=1S/C9H14/c1-3-5-6-9-7-8(9)4-2/h5,8-9H,1,4,6-7H2,2H3
InChIKeyAPZOIBXPWWRUIA-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dienyl-2-ethylcyclopropane?
The IUPAC name of 1-buta-2,3-dienyl-2-ethylcyclopropane (CID 123511287) is 1-buta-2,3-dienyl-2-ethylcyclopropane.
What is the SMILES notation for 1-buta-2,3-dienyl-2-ethylcyclopropane?
The canonical SMILES for 1-buta-2,3-dienyl-2-ethylcyclopropane is C=C=CCC1CC1CC.
What is the InChIKey of 1-buta-2,3-dienyl-2-ethylcyclopropane?
The InChIKey is APZOIBXPWWRUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-6-9-7-8(9)4-2/h5,8-9H,1,4,6-7H2,2H3.
What are the key properties of 1-buta-2,3-dienyl-2-ethylcyclopropane?
1-buta-2,3-dienyl-2-ethylcyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dienyl-2-ethylcyclopropane is sourced from PubChem (CID 123511287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).