1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane

C12H22 — CID 123607208

IUPAC1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane
SMILESCCCC1CC1CC(C)=C(C)C
InChIInChI=1S/C12H22/c1-5-6-11-8-12(11)7-10(4)9(2)3/h11-12H,5-8H2,1-4H3
InChIKeyHNTZJXFUKUNYQN-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds4

About 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane

1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane (PubChem CID 123607208) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane
PubChem CID123607208
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane
SMILESCCCC1CC1CC(C)=C(C)C
InChIInChI=1S/C12H22/c1-5-6-11-8-12(11)7-10(4)9(2)3/h11-12H,5-8H2,1-4H3
InChIKeyHNTZJXFUKUNYQN-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane?
The IUPAC name of 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane (CID 123607208) is 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane.
What is the SMILES notation for 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane?
The canonical SMILES for 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane is CCCC1CC1CC(C)=C(C)C.
What is the InChIKey of 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane?
The InChIKey is HNTZJXFUKUNYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-6-11-8-12(11)7-10(4)9(2)3/h11-12H,5-8H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane?
1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-2-enyl)-2-propylcyclopropane is sourced from PubChem (CID 123607208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).