1-methoxy-3-methyl-3-(3-methylpentoxy)pentane

C13H28O2 — CID 89083438

IUPAC1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
SMILESCCC(C)CCOC(C)(CC)CCOC
InChIInChI=1S/C13H28O2/c1-6-12(3)8-10-15-13(4,7-2)9-11-14-5/h12H,6-11H2,1-5H3
InChIKeyLNPNBTASXARVTK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds9

About 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane

1-methoxy-3-methyl-3-(3-methylpentoxy)pentane (PubChem CID 89083438) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane.

Molecular Properties

Compound Name1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
PubChem CID89083438
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-methoxy-3-methyl-3-(3-methylpentoxy)pentane
SMILESCCC(C)CCOC(C)(CC)CCOC
InChIInChI=1S/C13H28O2/c1-6-12(3)8-10-15-13(4,7-2)9-11-14-5/h12H,6-11H2,1-5H3
InChIKeyLNPNBTASXARVTK-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane?
The IUPAC name of 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane (CID 89083438) is 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane.
What is the SMILES notation for 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane?
The canonical SMILES for 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane is CCC(C)CCOC(C)(CC)CCOC.
What is the InChIKey of 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane?
The InChIKey is LNPNBTASXARVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-12(3)8-10-15-13(4,7-2)9-11-14-5/h12H,6-11H2,1-5H3.
What are the key properties of 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane?
1-methoxy-3-methyl-3-(3-methylpentoxy)pentane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-3-(3-methylpentoxy)pentane is sourced from PubChem (CID 89083438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).