cyclobutane;ethene;methane

C23H60 — CID 159877544

IUPACcyclobutane;ethene;methane
SMILESC.C.C.C.C.C.C.C1CCC1.C=C.C=C.C=C.C=C.C=C.C=C
InChIInChI=1S/C4H8.6C2H4.7CH4/c1-2-4-3-1;6*1-2;;;;;;;/h1-4H2;6*1-2H2;7*1H4
InChIKeyNTCIYAMDKFAKOK-UHFFFAOYSA-N
MW336.73 g/mol
LogP10.83
Rot. Bonds

About cyclobutane;ethene;methane

cyclobutane;ethene;methane (PubChem CID 159877544) has the molecular formula C23H60 and a molecular weight of 336.73 g/mol. Its IUPAC name is cyclobutane;ethene;methane.

Molecular Properties

Compound Namecyclobutane;ethene;methane
PubChem CID159877544
Molecular FormulaC23H60
Molecular Weight336.73 g/mol
Exact Mass336.47
IUPAC Namecyclobutane;ethene;methane
SMILESC.C.C.C.C.C.C.C1CCC1.C=C.C=C.C=C.C=C.C=C.C=C
InChIInChI=1S/C4H8.6C2H4.7CH4/c1-2-4-3-1;6*1-2;;;;;;;/h1-4H2;6*1-2H2;7*1H4
InChIKeyNTCIYAMDKFAKOK-UHFFFAOYSA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.73
LogP ≤ 510.83
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 cyclobutane;ethene;methane?
The IUPAC name of cyclobutane;ethene;methane (CID 159877544) is cyclobutane;ethene;methane.
What is the SMILES notation for cyclobutane;ethene;methane?
The canonical SMILES for cyclobutane;ethene;methane is C.C.C.C.C.C.C.C1CCC1.C=C.C=C.C=C.C=C.C=C.C=C.
What is the InChIKey of cyclobutane;ethene;methane?
The InChIKey is NTCIYAMDKFAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.6C2H4.7CH4/c1-2-4-3-1;6*1-2;;;;;;;/h1-4H2;6*1-2H2;7*1H4.
What are the key properties of cyclobutane;ethene;methane?
cyclobutane;ethene;methane has a molecular weight of 336.73 g/mol, XLogP of 10.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethene;methane is sourced from PubChem (CID 159877544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).