cyclobutane;ethane;methane;bis(2-methylpropane)

C62H150 — CID 159966273

IUPACcyclobutane;ethane;methane;bis(2-methylpropane)
SMILESC.C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC(C)C.CC(C)C
InChIInChI=1S/10C4H8.2C4H10.3C2H6.8CH4/c10*1-2-4-3-1;2*1-4(2)3;3*1-2;;;;;;;;/h10*1-4H2;2*4H,1-3H3;3*1-2H3;8*1H4
InChIKeyODYZCAPRIPCHLT-UHFFFAOYSA-N
MW895.88 g/mol
LogP27.10
Rot. Bonds

About cyclobutane;ethane;methane;bis(2-methylpropane)

cyclobutane;ethane;methane;bis(2-methylpropane) (PubChem CID 159966273) has the molecular formula C62H150 and a molecular weight of 895.88 g/mol. Its IUPAC name is cyclobutane;ethane;methane;bis(2-methylpropane).

Molecular Properties

Compound Namecyclobutane;ethane;methane;bis(2-methylpropane)
PubChem CID159966273
Molecular FormulaC62H150
Molecular Weight895.88 g/mol
Exact Mass895.17
IUPAC Namecyclobutane;ethane;methane;bis(2-methylpropane)
SMILESC.C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC(C)C.CC(C)C
InChIInChI=1S/10C4H8.2C4H10.3C2H6.8CH4/c10*1-2-4-3-1;2*1-4(2)3;3*1-2;;;;;;;;/h10*1-4H2;2*4H,1-3H3;3*1-2H3;8*1H4
InChIKeyODYZCAPRIPCHLT-UHFFFAOYSA-N
XLogP27.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.88
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;bis(2-methylpropane)
CID 142279596
ethane;methane;bis(2-methylpropane)
CID 169426228
cyclohexane;cyclopentane;ethane;methane
CID 161306107
cyclobutane;ethane;methane
CID 159400168
ethane;methane;2-methylpropane
CID 161431647
cyclobutane;ethane;methane
CID 161109968
cyclopropane;ethane
CID 160958790
ethane;tetrakis(2-methylpropane)
CID 160890290
cyclopropane;ethane
CID 144519947
cyclobutane;ethane
CID 91611118
cyclobutane;cyclohexane;ethane
CID 159889841
cyclopropane;ethane
CID 143364855

Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;methane;bis(2-methylpropane)?
The IUPAC name of cyclobutane;ethane;methane;bis(2-methylpropane) (CID 159966273) is cyclobutane;ethane;methane;bis(2-methylpropane).
What is the SMILES notation for cyclobutane;ethane;methane;bis(2-methylpropane)?
The canonical SMILES for cyclobutane;ethane;methane;bis(2-methylpropane) is C.C.C.C.C.C.C.C.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC(C)C.CC(C)C.
What is the InChIKey of cyclobutane;ethane;methane;bis(2-methylpropane)?
The InChIKey is ODYZCAPRIPCHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/10C4H8.2C4H10.3C2H6.8CH4/c10*1-2-4-3-1;2*1-4(2)3;3*1-2;;;;;;;;/h10*1-4H2;2*4H,1-3H3;3*1-2H3;8*1H4.
What are the key properties of cyclobutane;ethane;methane;bis(2-methylpropane)?
cyclobutane;ethane;methane;bis(2-methylpropane) has a molecular weight of 895.88 g/mol, XLogP of 27.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;methane;bis(2-methylpropane) is sourced from PubChem (CID 159966273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).