cyclobutane;cyclohexane;ethane

C14H32 — CID 159889841

IUPACcyclobutane;cyclohexane;ethane
SMILESC1CCC1.C1CCCCC1.CC.CC
InChIInChI=1S/C6H12.C4H8.2C2H6/c1-2-4-6-5-3-1;1-2-4-3-1;2*1-2/h1-6H2;1-4H2;2*1-2H3
InChIKeyNUPMYCONUGPTCA-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.95
Rot. Bonds

About cyclobutane;cyclohexane;ethane

cyclobutane;cyclohexane;ethane (PubChem CID 159889841) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is cyclobutane;cyclohexane;ethane.

Molecular Properties

Compound Namecyclobutane;cyclohexane;ethane
PubChem CID159889841
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Namecyclobutane;cyclohexane;ethane
SMILESC1CCC1.C1CCCCC1.CC.CC
InChIInChI=1S/C6H12.C4H8.2C2H6/c1-2-4-6-5-3-1;1-2-4-3-1;2*1-2/h1-6H2;1-4H2;2*1-2H3
InChIKeyNUPMYCONUGPTCA-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;cyclohexane;ethane?
The IUPAC name of cyclobutane;cyclohexane;ethane (CID 159889841) is cyclobutane;cyclohexane;ethane.
What is the SMILES notation for cyclobutane;cyclohexane;ethane?
The canonical SMILES for cyclobutane;cyclohexane;ethane is C1CCC1.C1CCCCC1.CC.CC.
What is the InChIKey of cyclobutane;cyclohexane;ethane?
The InChIKey is NUPMYCONUGPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8.2C2H6/c1-2-4-6-5-3-1;1-2-4-3-1;2*1-2/h1-6H2;1-4H2;2*1-2H3.
What are the key properties of cyclobutane;cyclohexane;ethane?
cyclobutane;cyclohexane;ethane has a molecular weight of 200.41 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;cyclohexane;ethane is sourced from PubChem (CID 159889841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).