3,4,5-trimethoxy-2,6-dimethylheptane

C12H26O3 — CID 58100186

IUPAC3,4,5-trimethoxy-2,6-dimethylheptane
SMILESCOC(C(C)C)C(OC)C(OC)C(C)C
InChIInChI=1S/C12H26O3/c1-8(2)10(13-5)12(15-7)11(14-6)9(3)4/h8-12H,1-7H3
InChIKeyIYFDHNPHFFESFQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.34
Rot. Bonds7

About 3,4,5-trimethoxy-2,6-dimethylheptane

3,4,5-trimethoxy-2,6-dimethylheptane (PubChem CID 58100186) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2,6-dimethylheptane.

Molecular Properties

Compound Name3,4,5-trimethoxy-2,6-dimethylheptane
PubChem CID58100186
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name3,4,5-trimethoxy-2,6-dimethylheptane
SMILESCOC(C(C)C)C(OC)C(OC)C(C)C
InChIInChI=1S/C12H26O3/c1-8(2)10(13-5)12(15-7)11(14-6)9(3)4/h8-12H,1-7H3
InChIKeyIYFDHNPHFFESFQ-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2,6-dimethylheptane?
The IUPAC name of 3,4,5-trimethoxy-2,6-dimethylheptane (CID 58100186) is 3,4,5-trimethoxy-2,6-dimethylheptane.
What is the SMILES notation for 3,4,5-trimethoxy-2,6-dimethylheptane?
The canonical SMILES for 3,4,5-trimethoxy-2,6-dimethylheptane is COC(C(C)C)C(OC)C(OC)C(C)C.
What is the InChIKey of 3,4,5-trimethoxy-2,6-dimethylheptane?
The InChIKey is IYFDHNPHFFESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-8(2)10(13-5)12(15-7)11(14-6)9(3)4/h8-12H,1-7H3.
What are the key properties of 3,4,5-trimethoxy-2,6-dimethylheptane?
3,4,5-trimethoxy-2,6-dimethylheptane has a molecular weight of 218.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-2,6-dimethylheptane is sourced from PubChem (CID 58100186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).