ethane;methanol;bis(pentane)

C13H34O — CID 142307969

IUPACethane;methanol;bis(pentane)
SMILESCC.CCCCC.CCCCC.CO
InChIInChI=1S/2C5H12.C2H6.CH4O/c2*1-3-5-4-2;2*1-2/h2*3-5H2,1-2H3;1-2H3;2H,1H3
InChIKeyMBEXXLXNDLJIMG-UHFFFAOYSA-N
MW206.41 g/mol
LogP5.03
Rot. Bonds4

About ethane;methanol;bis(pentane)

ethane;methanol;bis(pentane) (PubChem CID 142307969) has the molecular formula C13H34O and a molecular weight of 206.41 g/mol. Its IUPAC name is ethane;methanol;bis(pentane).

Molecular Properties

Compound Nameethane;methanol;bis(pentane)
PubChem CID142307969
Molecular FormulaC13H34O
Molecular Weight206.41 g/mol
Exact Mass206.26
IUPAC Nameethane;methanol;bis(pentane)
SMILESCC.CCCCC.CCCCC.CO
InChIInChI=1S/2C5H12.C2H6.CH4O/c2*1-3-5-4-2;2*1-2/h2*3-5H2,1-2H3;1-2H3;2H,1H3
InChIKeyMBEXXLXNDLJIMG-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;bis(pentane)?
The IUPAC name of ethane;methanol;bis(pentane) (CID 142307969) is ethane;methanol;bis(pentane).
What is the SMILES notation for ethane;methanol;bis(pentane)?
The canonical SMILES for ethane;methanol;bis(pentane) is CC.CCCCC.CCCCC.CO.
What is the InChIKey of ethane;methanol;bis(pentane)?
The InChIKey is MBEXXLXNDLJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12.C2H6.CH4O/c2*1-3-5-4-2;2*1-2/h2*3-5H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;bis(pentane)?
ethane;methanol;bis(pentane) has a molecular weight of 206.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;bis(pentane) is sourced from PubChem (CID 142307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).