1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane

C11H20 — CID 91455933

IUPAC1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
SMILESCCC(C)C(C)=CC1(C)CC1
InChIInChI=1S/C11H20/c1-5-9(2)10(3)8-11(4)6-7-11/h8-9H,5-7H2,1-4H3
InChIKeyKWQMUHUZIVBMAF-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane

1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane (PubChem CID 91455933) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
PubChem CID91455933
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane
SMILESCCC(C)C(C)=CC1(C)CC1
InChIInChI=1S/C11H20/c1-5-9(2)10(3)8-11(4)6-7-11/h8-9H,5-7H2,1-4H3
InChIKeyKWQMUHUZIVBMAF-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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-dimethylpent-1-enyl)-1-methylcyclopropane?
The IUPAC name of 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane (CID 91455933) is 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane.
What is the SMILES notation for 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane?
The canonical SMILES for 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane is CCC(C)C(C)=CC1(C)CC1.
What is the InChIKey of 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane?
The InChIKey is KWQMUHUZIVBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-9(2)10(3)8-11(4)6-7-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane?
1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpent-1-enyl)-1-methylcyclopropane is sourced from PubChem (CID 91455933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).