5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane

C13H28O2 — CID 89128367

IUPAC5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane
SMILESCCC(C)(CCC(C)COC(C)C)OC
InChIInChI=1S/C13H28O2/c1-7-13(5,14-6)9-8-12(4)10-15-11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyAEUMCMMMSQBTRP-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds8

About 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane

5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane (PubChem CID 89128367) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane.

Molecular Properties

Compound Name5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane
PubChem CID89128367
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane
SMILESCCC(C)(CCC(C)COC(C)C)OC
InChIInChI=1S/C13H28O2/c1-7-13(5,14-6)9-8-12(4)10-15-11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyAEUMCMMMSQBTRP-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane?
The IUPAC name of 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane (CID 89128367) is 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane.
What is the SMILES notation for 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane?
The canonical SMILES for 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane is CCC(C)(CCC(C)COC(C)C)OC.
What is the InChIKey of 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane?
The InChIKey is AEUMCMMMSQBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-7-13(5,14-6)9-8-12(4)10-15-11(2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane?
5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,5-dimethyl-1-propan-2-yloxyheptane is sourced from PubChem (CID 89128367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).