1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane

C18H30 — CID 123705629

IUPAC1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane
SMILESCC(CC1CCC1C(=C1CC1)C(C)(C)C)C1CC1
InChIInChI=1S/C18H30/c1-12(13-5-6-13)11-15-9-10-16(15)17(14-7-8-14)18(2,3)4/h12-13,15-16H,5-11H2,1-4H3
InChIKeyZUVNDOUKOGKWMK-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.59
Rot. Bonds4

About 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane

1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane (PubChem CID 123705629) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane.

Molecular Properties

Compound Name1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane
PubChem CID123705629
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane
SMILESCC(CC1CCC1C(=C1CC1)C(C)(C)C)C1CC1
InChIInChI=1S/C18H30/c1-12(13-5-6-13)11-15-9-10-16(15)17(14-7-8-14)18(2,3)4/h12-13,15-16H,5-11H2,1-4H3
InChIKeyZUVNDOUKOGKWMK-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.59
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-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane?
The IUPAC name of 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane (CID 123705629) is 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane.
What is the SMILES notation for 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane?
The canonical SMILES for 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane is CC(CC1CCC1C(=C1CC1)C(C)(C)C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane?
The InChIKey is ZUVNDOUKOGKWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-12(13-5-6-13)11-15-9-10-16(15)17(14-7-8-14)18(2,3)4/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane?
1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane has a molecular weight of 246.44 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylidene-2,2-dimethylpropyl)-2-(2-cyclopropylpropyl)cyclobutane is sourced from PubChem (CID 123705629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).