1,2-dimethyl-1-(2-methylpropyl)cyclopropane

C9H17+ — CID 123459221

IUPAC1,2-dimethyl-1-(2-methylpropyl)cyclopropane
SMILESC[C+](C)CC1(C)CC1C
InChIInChI=1S/C9H17/c1-7(2)5-9(4)6-8(9)3/h8H,5-6H2,1-4H3/q+1
InChIKeyFVSYNZHGWQTFBO-UHFFFAOYSA-N
MW125.23 g/mol
LogP3.04
Rot. Bonds2

About 1,2-dimethyl-1-(2-methylpropyl)cyclopropane

1,2-dimethyl-1-(2-methylpropyl)cyclopropane (PubChem CID 123459221) has the molecular formula C9H17+ and a molecular weight of 125.23 g/mol. Its IUPAC name is 1,2-dimethyl-1-(2-methylpropyl)cyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-(2-methylpropyl)cyclopropane
PubChem CID123459221
Molecular FormulaC9H17+
Molecular Weight125.23 g/mol
Exact Mass125.13
IUPAC Name1,2-dimethyl-1-(2-methylpropyl)cyclopropane
SMILESC[C+](C)CC1(C)CC1C
InChIInChI=1S/C9H17/c1-7(2)5-9(4)6-8(9)3/h8H,5-6H2,1-4H3/q+1
InChIKeyFVSYNZHGWQTFBO-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629
1-(2-fluoroethyl)-1,2-dimethylcyclopropane
CID 123694761
1-(3-ethylpentyl)-1,2-dimethylcyclopropane
CID 123883957
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
N-[2-(1,2-dimethylcyclopropyl)ethyl]propan-2-amine
CID 123728566
CID 162401464
CID 162401464
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
(1,2,4,4-tetramethylcyclopentyl)methanamine
CID 131550173
(1,2-dimethylcyclopentyl)methanol
CID 544196

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(2-methylpropyl)cyclopropane?
The IUPAC name of 1,2-dimethyl-1-(2-methylpropyl)cyclopropane (CID 123459221) is 1,2-dimethyl-1-(2-methylpropyl)cyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-(2-methylpropyl)cyclopropane?
The canonical SMILES for 1,2-dimethyl-1-(2-methylpropyl)cyclopropane is C[C+](C)CC1(C)CC1C.
What is the InChIKey of 1,2-dimethyl-1-(2-methylpropyl)cyclopropane?
The InChIKey is FVSYNZHGWQTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17/c1-7(2)5-9(4)6-8(9)3/h8H,5-6H2,1-4H3/q+1.
What are the key properties of 1,2-dimethyl-1-(2-methylpropyl)cyclopropane?
1,2-dimethyl-1-(2-methylpropyl)cyclopropane has a molecular weight of 125.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(2-methylpropyl)cyclopropane is sourced from PubChem (CID 123459221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).