ethane;methoxyethane;3-methylpentane

C11H28O — CID 144654448

IUPACethane;methoxyethane;3-methylpentane
SMILESCC.CCC(C)CC.CCOC
InChIInChI=1S/C6H14.C3H8O.C2H6/c1-4-6(3)5-2;1-3-4-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyKRWOKZAQODVSGO-UHFFFAOYSA-N
MW176.34 g/mol
LogP4.12
Rot. Bonds3

About ethane;methoxyethane;3-methylpentane

ethane;methoxyethane;3-methylpentane (PubChem CID 144654448) has the molecular formula C11H28O and a molecular weight of 176.34 g/mol. Its IUPAC name is ethane;methoxyethane;3-methylpentane.

Molecular Properties

Compound Nameethane;methoxyethane;3-methylpentane
PubChem CID144654448
Molecular FormulaC11H28O
Molecular Weight176.34 g/mol
Exact Mass176.21
IUPAC Nameethane;methoxyethane;3-methylpentane
SMILESCC.CCC(C)CC.CCOC
InChIInChI=1S/C6H14.C3H8O.C2H6/c1-4-6(3)5-2;1-3-4-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyKRWOKZAQODVSGO-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-Ethyl-1-butyl) ether
CID 524831
2-Ethyl-1-butanol, methyl ether
CID 10866310
Di(3-methylpentyl) ether
CID 57311152
3-(Butoxymethyl)pentane
CID 22002885
1-Butoxy-3-methylpentane
CID 88940551
1-Methoxy-3-methylpentane
CID 15706803
Bis(3-methylpentyl)alumanylium;ethanolate
CID 19766065
3-(Methoxymethyl)-2,4-dimethylpentane
CID 19768889
2-Methylbutane;1-propoxypropane
CID 20375217
3-(Ethoxymethyl)pentane
CID 20642805
3-Methyl-1-(2-methylbutoxy)pentane
CID 20793775
Ether isohexane
CID 21882825

Frequently Asked Questions

What is the IUPAC name of ethane;methoxyethane;3-methylpentane?
The IUPAC name of ethane;methoxyethane;3-methylpentane (CID 144654448) is ethane;methoxyethane;3-methylpentane.
What is the SMILES notation for ethane;methoxyethane;3-methylpentane?
The canonical SMILES for ethane;methoxyethane;3-methylpentane is CC.CCC(C)CC.CCOC.
What is the InChIKey of ethane;methoxyethane;3-methylpentane?
The InChIKey is KRWOKZAQODVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H8O.C2H6/c1-4-6(3)5-2;1-3-4-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;methoxyethane;3-methylpentane?
ethane;methoxyethane;3-methylpentane has a molecular weight of 176.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxyethane;3-methylpentane is sourced from PubChem (CID 144654448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).