butane;ethane;methanol;2-methylbutane

C12H32O — CID 170758487

IUPACbutane;ethane;methanol;2-methylbutane
SMILESCC.CCC(C)C.CCCC.CO
InChIInChI=1S/C5H12.C4H10.C2H6.CH4O/c1-4-5(2)3;1-3-4-2;2*1-2/h5H,4H2,1-3H3;3-4H2,1-2H3;1-2H3;2H,1H3
InChIKeyMFHKRDRZRLUOKD-UHFFFAOYSA-N
MW192.39 g/mol
LogP4.49
Rot. Bonds2

About butane;ethane;methanol;2-methylbutane

butane;ethane;methanol;2-methylbutane (PubChem CID 170758487) has the molecular formula C12H32O and a molecular weight of 192.39 g/mol. Its IUPAC name is butane;ethane;methanol;2-methylbutane.

Molecular Properties

Compound Namebutane;ethane;methanol;2-methylbutane
PubChem CID170758487
Molecular FormulaC12H32O
Molecular Weight192.39 g/mol
Exact Mass192.25
IUPAC Namebutane;ethane;methanol;2-methylbutane
SMILESCC.CCC(C)C.CCCC.CO
InChIInChI=1S/C5H12.C4H10.C2H6.CH4O/c1-4-5(2)3;1-3-4-2;2*1-2/h5H,4H2,1-3H3;3-4H2,1-2H3;1-2H3;2H,1H3
InChIKeyMFHKRDRZRLUOKD-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 164983427
2-methylbutane
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2-methylbutane
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ethane;methane;2-methylbutane;propane
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2-methylbutane;yttrium
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CID 159021520
ethane;ethene;2-methylbutane;propane
CID 142006499
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CID 144524584
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CID 144735709

Frequently Asked Questions

What is the IUPAC name of butane;ethane;methanol;2-methylbutane?
The IUPAC name of butane;ethane;methanol;2-methylbutane (CID 170758487) is butane;ethane;methanol;2-methylbutane.
What is the SMILES notation for butane;ethane;methanol;2-methylbutane?
The canonical SMILES for butane;ethane;methanol;2-methylbutane is CC.CCC(C)C.CCCC.CO.
What is the InChIKey of butane;ethane;methanol;2-methylbutane?
The InChIKey is MFHKRDRZRLUOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H10.C2H6.CH4O/c1-4-5(2)3;1-3-4-2;2*1-2/h5H,4H2,1-3H3;3-4H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of butane;ethane;methanol;2-methylbutane?
butane;ethane;methanol;2-methylbutane has a molecular weight of 192.39 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;methanol;2-methylbutane is sourced from PubChem (CID 170758487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).