cyclobutane;ethane;methylcyclobutane

C18H40 — CID 158121682

IUPACcyclobutane;ethane;methylcyclobutane
SMILESC1CCC1.CC.CC.CC1CCC1.CC1CCC1
InChIInChI=1S/2C5H10.C4H8.2C2H6/c2*1-5-3-2-4-5;1-2-4-3-1;2*1-2/h2*5H,2-4H2,1H3;1-4H2;2*1-2H3
InChIKeyFRRIXZSBTXRQTG-UHFFFAOYSA-N
MW256.52 g/mol
LogP7.23
Rot. Bonds

About cyclobutane;ethane;methylcyclobutane

cyclobutane;ethane;methylcyclobutane (PubChem CID 158121682) has the molecular formula C18H40 and a molecular weight of 256.52 g/mol. Its IUPAC name is cyclobutane;ethane;methylcyclobutane.

Molecular Properties

Compound Namecyclobutane;ethane;methylcyclobutane
PubChem CID158121682
Molecular FormulaC18H40
Molecular Weight256.52 g/mol
Exact Mass256.31
IUPAC Namecyclobutane;ethane;methylcyclobutane
SMILESC1CCC1.CC.CC.CC1CCC1.CC1CCC1
InChIInChI=1S/2C5H10.C4H8.2C2H6/c2*1-5-3-2-4-5;1-2-4-3-1;2*1-2/h2*5H,2-4H2,1H3;1-4H2;2*1-2H3
InChIKeyFRRIXZSBTXRQTG-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.52
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;ethane;methylcyclopropane
CID 143875535
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
1-cyclopentyl-5-methylcyclooctane;ethane;bis(methylcyclooctane)
CID 159863371

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;methylcyclobutane?
The IUPAC name of cyclobutane;ethane;methylcyclobutane (CID 158121682) is cyclobutane;ethane;methylcyclobutane.
What is the SMILES notation for cyclobutane;ethane;methylcyclobutane?
The canonical SMILES for cyclobutane;ethane;methylcyclobutane is C1CCC1.CC.CC.CC1CCC1.CC1CCC1.
What is the InChIKey of cyclobutane;ethane;methylcyclobutane?
The InChIKey is FRRIXZSBTXRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.C4H8.2C2H6/c2*1-5-3-2-4-5;1-2-4-3-1;2*1-2/h2*5H,2-4H2,1H3;1-4H2;2*1-2H3.
What are the key properties of cyclobutane;ethane;methylcyclobutane?
cyclobutane;ethane;methylcyclobutane has a molecular weight of 256.52 g/mol, XLogP of 7.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;methylcyclobutane is sourced from PubChem (CID 158121682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).