ethane;1-methoxy-2-methylbutane;propane

C11H28O — CID 143686071

IUPACethane;1-methoxy-2-methylbutane;propane
SMILESCC.CCC.CCC(C)COC
InChIInChI=1S/C6H14O.C3H8.C2H6/c1-4-6(2)5-7-3;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyUVCRHYRLOWCVIY-UHFFFAOYSA-N
MW176.34 g/mol
LogP4.12
Rot. Bonds3

About ethane;1-methoxy-2-methylbutane;propane

ethane;1-methoxy-2-methylbutane;propane (PubChem CID 143686071) has the molecular formula C11H28O and a molecular weight of 176.34 g/mol. Its IUPAC name is ethane;1-methoxy-2-methylbutane;propane.

Molecular Properties

Compound Nameethane;1-methoxy-2-methylbutane;propane
PubChem CID143686071
Molecular FormulaC11H28O
Molecular Weight176.34 g/mol
Exact Mass176.21
IUPAC Nameethane;1-methoxy-2-methylbutane;propane
SMILESCC.CCC.CCC(C)COC
InChIInChI=1S/C6H14O.C3H8.C2H6/c1-4-6(2)5-7-3;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyUVCRHYRLOWCVIY-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

methane;1-methoxy-2-methylbutane
CID 159281556
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
1-methoxy-2,22-dimethyltetracosane
CID 86173032
butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
CID 160861824
1-methoxy-2,4,5-trimethylheptane
CID 177138936
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
3-methylpentane;propane
CID 123266773
ethane;3-methylpentane
CID 91147782
1,2-dimethoxy-4-methylhexane
CID 123627097
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-2-methylbutane;propane?
The IUPAC name of ethane;1-methoxy-2-methylbutane;propane (CID 143686071) is ethane;1-methoxy-2-methylbutane;propane.
What is the SMILES notation for ethane;1-methoxy-2-methylbutane;propane?
The canonical SMILES for ethane;1-methoxy-2-methylbutane;propane is CC.CCC.CCC(C)COC.
What is the InChIKey of ethane;1-methoxy-2-methylbutane;propane?
The InChIKey is UVCRHYRLOWCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H8.C2H6/c1-4-6(2)5-7-3;1-3-2;1-2/h6H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-2-methylbutane;propane?
ethane;1-methoxy-2-methylbutane;propane 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;1-methoxy-2-methylbutane;propane is sourced from PubChem (CID 143686071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).