2-but-3-en-2-yl-1,1-dimethylcyclopropane

C9H16 — CID 534898

IUPAC2-but-3-en-2-yl-1,1-dimethylcyclopropane
SMILESC=CC(C)C1CC1(C)C
InChIInChI=1S/C9H16/c1-5-7(2)8-6-9(8,3)4/h5,7-8H,1,6H2,2-4H3
InChIKeyHRPHMXVIOTYCKL-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.85
Rot. Bonds2

About 2-but-3-en-2-yl-1,1-dimethylcyclopropane

2-but-3-en-2-yl-1,1-dimethylcyclopropane (PubChem CID 534898) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2-but-3-en-2-yl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-but-3-en-2-yl-1,1-dimethylcyclopropane
PubChem CID534898
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2-but-3-en-2-yl-1,1-dimethylcyclopropane
SMILESC=CC(C)C1CC1(C)C
InChIInChI=1S/C9H16/c1-5-7(2)8-6-9(8,3)4/h5,7-8H,1,6H2,2-4H3
InChIKeyHRPHMXVIOTYCKL-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.85
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 2-but-3-en-2-yl-1,1-dimethylcyclopropane?
The IUPAC name of 2-but-3-en-2-yl-1,1-dimethylcyclopropane (CID 534898) is 2-but-3-en-2-yl-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-but-3-en-2-yl-1,1-dimethylcyclopropane?
The canonical SMILES for 2-but-3-en-2-yl-1,1-dimethylcyclopropane is C=CC(C)C1CC1(C)C.
What is the InChIKey of 2-but-3-en-2-yl-1,1-dimethylcyclopropane?
The InChIKey is HRPHMXVIOTYCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-5-7(2)8-6-9(8,3)4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 2-but-3-en-2-yl-1,1-dimethylcyclopropane?
2-but-3-en-2-yl-1,1-dimethylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-1,1-dimethylcyclopropane is sourced from PubChem (CID 534898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).