1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane

C16H24 — CID 59422098

IUPAC1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane
SMILESC=CC1CC1CC1CC(CC2CC2C=C)C1
InChIInChI=1S/C16H24/c1-3-13-9-15(13)7-11-5-12(6-11)8-16-10-14(16)4-2/h3-4,11-16H,1-2,5-10H2
InChIKeyGCMGUEOLBOYUHR-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.44
Rot. Bonds6

About 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane

1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane (PubChem CID 59422098) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane.

Molecular Properties

Compound Name1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane
PubChem CID59422098
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane
SMILESC=CC1CC1CC1CC(CC2CC2C=C)C1
InChIInChI=1S/C16H24/c1-3-13-9-15(13)7-11-5-12(6-11)8-16-10-14(16)4-2/h3-4,11-16H,1-2,5-10H2
InChIKeyGCMGUEOLBOYUHR-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.44
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 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane?
The IUPAC name of 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane (CID 59422098) is 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane.
What is the SMILES notation for 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane?
The canonical SMILES for 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane is C=CC1CC1CC1CC(CC2CC2C=C)C1.
What is the InChIKey of 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane?
The InChIKey is GCMGUEOLBOYUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-13-9-15(13)7-11-5-12(6-11)8-16-10-14(16)4-2/h3-4,11-16H,1-2,5-10H2.
What are the key properties of 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane?
1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane has a molecular weight of 216.37 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-ethenylcyclopropyl)methyl]cyclobutane is sourced from PubChem (CID 59422098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).