methane;2-methylpentane;propane

C13H34 — CID 161026516

IUPACmethane;2-methylpentane;propane
SMILESC.CCC.CCC.CCCC(C)C
InChIInChI=1S/C6H14.2C3H8.CH4/c1-4-5-6(2)3;2*1-3-2;/h6H,4-5H2,1-3H3;2*3H2,1-2H3;1H4
InChIKeyTZAXULVNJXIAHQ-UHFFFAOYSA-N
MW190.41 g/mol
LogP5.91
Rot. Bonds2

About methane;2-methylpentane;propane

methane;2-methylpentane;propane (PubChem CID 161026516) has the molecular formula C13H34 and a molecular weight of 190.41 g/mol. Its IUPAC name is methane;2-methylpentane;propane.

Molecular Properties

Compound Namemethane;2-methylpentane;propane
PubChem CID161026516
Molecular FormulaC13H34
Molecular Weight190.41 g/mol
Exact Mass190.27
IUPAC Namemethane;2-methylpentane;propane
SMILESC.CCC.CCC.CCCC(C)C
InChIInChI=1S/C6H14.2C3H8.CH4/c1-4-5-6(2)3;2*1-3-2;/h6H,4-5H2,1-3H3;2*3H2,1-2H3;1H4
InChIKeyTZAXULVNJXIAHQ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500190.41
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;bis(2-methylpentane)
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2-methylpentane
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ethane;2-methylpentane
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CID 160726714
azane;2-methylpentane
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azane;2-methylpentane
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CID 158735959
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethane;2-methylpentane;pentane;propane
CID 142044971
ethanamine;2-methylpentane
CID 143240474
hexane;2-methylpentane
CID 19835603
acetic acid;deuteriomethane;2-methylpentane
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Frequently Asked Questions

What is the IUPAC name of methane;2-methylpentane;propane?
The IUPAC name of methane;2-methylpentane;propane (CID 161026516) is methane;2-methylpentane;propane.
What is the SMILES notation for methane;2-methylpentane;propane?
The canonical SMILES for methane;2-methylpentane;propane is C.CCC.CCC.CCCC(C)C.
What is the InChIKey of methane;2-methylpentane;propane?
The InChIKey is TZAXULVNJXIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C3H8.CH4/c1-4-5-6(2)3;2*1-3-2;/h6H,4-5H2,1-3H3;2*3H2,1-2H3;1H4.
What are the key properties of methane;2-methylpentane;propane?
methane;2-methylpentane;propane has a molecular weight of 190.41 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpentane;propane is sourced from PubChem (CID 161026516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).