ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane

C19H42O3 — CID 142068911

IUPACethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane
SMILESCC.CCCC(CC)OC(C)C(C)(CC)OCC(C)(C)OC
InChIInChI=1S/C17H36O3.C2H6/c1-9-12-15(10-2)20-14(4)17(7,11-3)19-13-16(5,6)18-8;1-2/h14-15H,9-13H2,1-8H3;1-2H3
InChIKeyIQQIHJSJENFHON-UHFFFAOYSA-N
MW318.54 g/mol
LogP5.61
Rot. Bonds11

About ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane

ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane (PubChem CID 142068911) has the molecular formula C19H42O3 and a molecular weight of 318.54 g/mol. Its IUPAC name is ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane.

Molecular Properties

Compound Nameethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane
PubChem CID142068911
Molecular FormulaC19H42O3
Molecular Weight318.54 g/mol
Exact Mass318.31
IUPAC Nameethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane
SMILESCC.CCCC(CC)OC(C)C(C)(CC)OCC(C)(C)OC
InChIInChI=1S/C17H36O3.C2H6/c1-9-12-15(10-2)20-14(4)17(7,11-3)19-13-16(5,6)18-8;1-2/h14-15H,9-13H2,1-8H3;1-2H3
InChIKeyIQQIHJSJENFHON-UHFFFAOYSA-N
XLogP5.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.54
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane?
The IUPAC name of ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane (CID 142068911) is ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane.
What is the SMILES notation for ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane?
The canonical SMILES for ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane is CC.CCCC(CC)OC(C)C(C)(CC)OCC(C)(C)OC.
What is the InChIKey of ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane?
The InChIKey is IQQIHJSJENFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3.C2H6/c1-9-12-15(10-2)20-14(4)17(7,11-3)19-13-16(5,6)18-8;1-2/h14-15H,9-13H2,1-8H3;1-2H3.
What are the key properties of ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane?
ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane has a molecular weight of 318.54 g/mol, XLogP of 5.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hexan-3-yloxy-3-(2-methoxy-2-methylpropoxy)-3-methylpentane is sourced from PubChem (CID 142068911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).