1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane

C9H16 — CID 534976

IUPAC1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane
SMILESC=C(C)CC1CC1(C)C
InChIInChI=1S/C9H16/c1-7(2)5-8-6-9(8,3)4/h8H,1,5-6H2,2-4H3
InChIKeyINNCSJIBGYJUJK-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds2

About 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane

1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane (PubChem CID 534976) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane
PubChem CID534976
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane
SMILESC=C(C)CC1CC1(C)C
InChIInChI=1S/C9H16/c1-7(2)5-8-6-9(8,3)4/h8H,1,5-6H2,2-4H3
InChIKeyINNCSJIBGYJUJK-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane (CID 534976) is 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane is C=C(C)CC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
The InChIKey is INNCSJIBGYJUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7(2)5-8-6-9(8,3)4/h8H,1,5-6H2,2-4H3.
What are the key properties of 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane is sourced from PubChem (CID 534976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).