cyclobutane;methane

C39H92 — CID 158205110

IUPACcyclobutane;methane
SMILESC.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1
InChIInChI=1S/8C4H8.7CH4/c8*1-2-4-3-1;;;;;;;/h8*1-4H2;7*1H4
InChIKeyGBKBBEGLDROOSU-UHFFFAOYSA-N
MW561.17 g/mol
LogP16.94
Rot. Bonds

About cyclobutane;methane

cyclobutane;methane (PubChem CID 158205110) has the molecular formula C39H92 and a molecular weight of 561.17 g/mol. Its IUPAC name is cyclobutane;methane.

Molecular Properties

Compound Namecyclobutane;methane
PubChem CID158205110
Molecular FormulaC39H92
Molecular Weight561.17 g/mol
Exact Mass560.72
IUPAC Namecyclobutane;methane
SMILESC.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1
InChIInChI=1S/8C4H8.7CH4/c8*1-2-4-3-1;;;;;;;/h8*1-4H2;7*1H4
InChIKeyGBKBBEGLDROOSU-UHFFFAOYSA-N
XLogP16.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.17
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

nonakis(cyclohexane);methane
CID 159769101
cyclobutane;methane
CID 159348077
cycloheptane;methane
CID 160881115
CID 159842804
CID 159842804
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclooctane
CID 9266
cyclooctacosane
CID 520451
cyclobutane;cyclopropane
CID 159057906
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184
cyclobutane;ethene;methane
CID 159877544
cyclobutane;ethane;methane
CID 159400168

Frequently Asked Questions

What is the IUPAC name of cyclobutane;methane?
The IUPAC name of cyclobutane;methane (CID 158205110) is cyclobutane;methane.
What is the SMILES notation for cyclobutane;methane?
The canonical SMILES for cyclobutane;methane is C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.
What is the InChIKey of cyclobutane;methane?
The InChIKey is GBKBBEGLDROOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C4H8.7CH4/c8*1-2-4-3-1;;;;;;;/h8*1-4H2;7*1H4.
What are the key properties of cyclobutane;methane?
cyclobutane;methane has a molecular weight of 561.17 g/mol, XLogP of 16.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;methane is sourced from PubChem (CID 158205110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).