3,4-dimethylpentan-2-ylidenecyclopropane

C10H18 — CID 123187570

IUPAC3,4-dimethylpentan-2-ylidenecyclopropane
SMILESCC(=C1CC1)C(C)C(C)C
InChIInChI=1S/C10H18/c1-7(2)8(3)9(4)10-5-6-10/h7-8H,5-6H2,1-4H3
InChIKeyXQCOJLIQGBCJNQ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds2

About 3,4-dimethylpentan-2-ylidenecyclopropane

3,4-dimethylpentan-2-ylidenecyclopropane (PubChem CID 123187570) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3,4-dimethylpentan-2-ylidenecyclopropane.

Molecular Properties

Compound Name3,4-dimethylpentan-2-ylidenecyclopropane
PubChem CID123187570
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3,4-dimethylpentan-2-ylidenecyclopropane
SMILESCC(=C1CC1)C(C)C(C)C
InChIInChI=1S/C10H18/c1-7(2)8(3)9(4)10-5-6-10/h7-8H,5-6H2,1-4H3
InChIKeyXQCOJLIQGBCJNQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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 3,4-dimethylpentan-2-ylidenecyclopropane?
The IUPAC name of 3,4-dimethylpentan-2-ylidenecyclopropane (CID 123187570) is 3,4-dimethylpentan-2-ylidenecyclopropane.
What is the SMILES notation for 3,4-dimethylpentan-2-ylidenecyclopropane?
The canonical SMILES for 3,4-dimethylpentan-2-ylidenecyclopropane is CC(=C1CC1)C(C)C(C)C.
What is the InChIKey of 3,4-dimethylpentan-2-ylidenecyclopropane?
The InChIKey is XQCOJLIQGBCJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7(2)8(3)9(4)10-5-6-10/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethylpentan-2-ylidenecyclopropane?
3,4-dimethylpentan-2-ylidenecyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpentan-2-ylidenecyclopropane is sourced from PubChem (CID 123187570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).