1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane

C12H20 — CID 123856469

IUPAC1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane
SMILESCC(C)=C1CCC1(C)C1(C)CC1
InChIInChI=1S/C12H20/c1-9(2)10-5-6-12(10,4)11(3)7-8-11/h5-8H2,1-4H3
InChIKeyXVHFFWGQUWOIRJ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds1

About 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane

1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane (PubChem CID 123856469) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane.

Molecular Properties

Compound Name1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane
PubChem CID123856469
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane
SMILESCC(C)=C1CCC1(C)C1(C)CC1
InChIInChI=1S/C12H20/c1-9(2)10-5-6-12(10,4)11(3)7-8-11/h5-8H2,1-4H3
InChIKeyXVHFFWGQUWOIRJ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane?
The IUPAC name of 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane (CID 123856469) is 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane.
What is the SMILES notation for 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane?
The canonical SMILES for 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane is CC(C)=C1CCC1(C)C1(C)CC1.
What is the InChIKey of 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane?
The InChIKey is XVHFFWGQUWOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)10-5-6-12(10,4)11(3)7-8-11/h5-8H2,1-4H3.
What are the key properties of 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane?
1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane has a molecular weight of 164.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane is sourced from PubChem (CID 123856469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).