butane;2,2-dimethylpropane;ethane;propane

C18H46 — CID 142459037

IUPACbutane;2,2-dimethylpropane;ethane;propane
SMILESCC.CC(C)(C)C.CCC.CCCC.CCCC
InChIInChI=1S/C5H12.2C4H10.C3H8.C2H6/c1-5(2,3)4;2*1-3-4-2;1-3-2;1-2/h1-4H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCYAYYWMJPBBUCW-UHFFFAOYSA-N
MW262.57 g/mol
LogP8.11
Rot. Bonds2

About butane;2,2-dimethylpropane;ethane;propane

butane;2,2-dimethylpropane;ethane;propane (PubChem CID 142459037) has the molecular formula C18H46 and a molecular weight of 262.57 g/mol. Its IUPAC name is butane;2,2-dimethylpropane;ethane;propane.

Molecular Properties

Compound Namebutane;2,2-dimethylpropane;ethane;propane
PubChem CID142459037
Molecular FormulaC18H46
Molecular Weight262.57 g/mol
Exact Mass262.36
IUPAC Namebutane;2,2-dimethylpropane;ethane;propane
SMILESCC.CC(C)(C)C.CCC.CCCC.CCCC
InChIInChI=1S/C5H12.2C4H10.C3H8.C2H6/c1-5(2,3)4;2*1-3-4-2;1-3-2;1-2/h1-4H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyCYAYYWMJPBBUCW-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.57
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylpropane;ethane;propane?
The IUPAC name of butane;2,2-dimethylpropane;ethane;propane (CID 142459037) is butane;2,2-dimethylpropane;ethane;propane.
What is the SMILES notation for butane;2,2-dimethylpropane;ethane;propane?
The canonical SMILES for butane;2,2-dimethylpropane;ethane;propane is CC.CC(C)(C)C.CCC.CCCC.CCCC.
What is the InChIKey of butane;2,2-dimethylpropane;ethane;propane?
The InChIKey is CYAYYWMJPBBUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C4H10.C3H8.C2H6/c1-5(2,3)4;2*1-3-4-2;1-3-2;1-2/h1-4H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;2,2-dimethylpropane;ethane;propane?
butane;2,2-dimethylpropane;ethane;propane has a molecular weight of 262.57 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,2-dimethylpropane;ethane;propane is sourced from PubChem (CID 142459037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).