butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane

C35H88 — CID 161338456

IUPACbutane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane
SMILESC.CC.CC(C)(C)C.CC(C)C.CCC.CCC(C)C.CCC(C)CC.CCCC.CCCCC
InChIInChI=1S/C6H14.3C5H12.2C4H10.C3H8.C2H6.CH4/c1-4-6(3)5-2;1-5(2,3)4;1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2;/h6H,4-5H2,1-3H3;1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3;1H4
InChIKeyVMIUJKVACZIBST-UHFFFAOYSA-N
MW509.09 g/mol
LogP15.29
Rot. Bonds6

About butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane

butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane (PubChem CID 161338456) has the molecular formula C35H88 and a molecular weight of 509.09 g/mol. Its IUPAC name is butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane.

Molecular Properties

Compound Namebutane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane
PubChem CID161338456
Molecular FormulaC35H88
Molecular Weight509.09 g/mol
Exact Mass508.69
IUPAC Namebutane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane
SMILESC.CC.CC(C)(C)C.CC(C)C.CCC.CCC(C)C.CCC(C)CC.CCCC.CCCCC
InChIInChI=1S/C6H14.3C5H12.2C4H10.C3H8.C2H6.CH4/c1-4-6(3)5-2;1-5(2,3)4;1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2;/h6H,4-5H2,1-3H3;1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3;1H4
InChIKeyVMIUJKVACZIBST-UHFFFAOYSA-N
XLogP15.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.09
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 157406316
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CID 160602933
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
argon;butane;ethane;methane;2-methylbutane;propane
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2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
CID 176918653
ethane;methane;2-methylbutane;propane
CID 162144061
butane;ethane;3-ethylnonane;heptane;hexane;2-methylbutane;2-methylpropane;nonane;octane;pentane;propane
CID 159422954
butane;2,2-dimethylbutane;hexane;methane;2-methylbutane;2-methylpentane;pentane
CID 160670353
butane;2,2-dimethylpropane;ethane;fluoromethane;methane;bis(2-methylbutane);1-methyl-4-phenylbenzene;2-methylpropane;pentane;propane;toluene;1,1,1-trifluoroethane
CID 160610124
ethane;ethene;methane;3-methylpentane;propane
CID 144518187
butane;2,2-dimethylpropane;ethane;propane
CID 142459037

Frequently Asked Questions

What is the IUPAC name of butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane?
The IUPAC name of butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane (CID 161338456) is butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane.
What is the SMILES notation for butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane?
The canonical SMILES for butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane is C.CC.CC(C)(C)C.CC(C)C.CCC.CCC(C)C.CCC(C)CC.CCCC.CCCCC.
What is the InChIKey of butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane?
The InChIKey is VMIUJKVACZIBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.3C5H12.2C4H10.C3H8.C2H6.CH4/c1-4-6(3)5-2;1-5(2,3)4;1-4-5(2)3;1-3-5-4-2;1-4(2)3;1-3-4-2;1-3-2;1-2;/h6H,4-5H2,1-3H3;1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane?
butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane has a molecular weight of 509.09 g/mol, XLogP of 15.29, 6 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;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane is sourced from PubChem (CID 161338456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).