1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane

C18H28 — CID 123606351

IUPAC1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane
SMILESCC1=C(C2CC2C(C)(C2CCC2C)C2(C)CC2)C1
InChIInChI=1S/C18H28/c1-11-5-6-15(11)18(4,17(3)7-8-17)16-10-14(16)13-9-12(13)2/h11,14-16H,5-10H2,1-4H3
InChIKeyXMAXTYKUGJIDQF-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.20
Rot. Bonds4

About 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane

1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane (PubChem CID 123606351) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane.

Molecular Properties

Compound Name1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane
PubChem CID123606351
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane
SMILESCC1=C(C2CC2C(C)(C2CCC2C)C2(C)CC2)C1
InChIInChI=1S/C18H28/c1-11-5-6-15(11)18(4,17(3)7-8-17)16-10-14(16)13-9-12(13)2/h11,14-16H,5-10H2,1-4H3
InChIKeyXMAXTYKUGJIDQF-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.20
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-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane?
The IUPAC name of 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane (CID 123606351) is 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane.
What is the SMILES notation for 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane?
The canonical SMILES for 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane is CC1=C(C2CC2C(C)(C2CCC2C)C2(C)CC2)C1.
What is the InChIKey of 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane?
The InChIKey is XMAXTYKUGJIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-11-5-6-15(11)18(4,17(3)7-8-17)16-10-14(16)13-9-12(13)2/h11,14-16H,5-10H2,1-4H3.
What are the key properties of 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane?
1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane has a molecular weight of 244.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[2-(2-methylcyclopropen-1-yl)cyclopropyl]-1-(1-methylcyclopropyl)ethyl]cyclobutane is sourced from PubChem (CID 123606351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).