3,7-dimethoxy-2,8-dimethylnonane

C13H28O2 — CID 58100197

IUPAC3,7-dimethoxy-2,8-dimethylnonane
SMILESCOC(CCCC(OC)C(C)C)C(C)C
InChIInChI=1S/C13H28O2/c1-10(2)12(14-5)8-7-9-13(15-6)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyPPUVZBKMEJLQRT-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.50
Rot. Bonds8

About 3,7-dimethoxy-2,8-dimethylnonane

3,7-dimethoxy-2,8-dimethylnonane (PubChem CID 58100197) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,7-dimethoxy-2,8-dimethylnonane.

Molecular Properties

Compound Name3,7-dimethoxy-2,8-dimethylnonane
PubChem CID58100197
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,7-dimethoxy-2,8-dimethylnonane
SMILESCOC(CCCC(OC)C(C)C)C(C)C
InChIInChI=1S/C13H28O2/c1-10(2)12(14-5)8-7-9-13(15-6)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyPPUVZBKMEJLQRT-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-2,8-dimethylnonane?
The IUPAC name of 3,7-dimethoxy-2,8-dimethylnonane (CID 58100197) is 3,7-dimethoxy-2,8-dimethylnonane.
What is the SMILES notation for 3,7-dimethoxy-2,8-dimethylnonane?
The canonical SMILES for 3,7-dimethoxy-2,8-dimethylnonane is COC(CCCC(OC)C(C)C)C(C)C.
What is the InChIKey of 3,7-dimethoxy-2,8-dimethylnonane?
The InChIKey is PPUVZBKMEJLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-10(2)12(14-5)8-7-9-13(15-6)11(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 3,7-dimethoxy-2,8-dimethylnonane?
3,7-dimethoxy-2,8-dimethylnonane has a molecular weight of 216.36 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-2,8-dimethylnonane is sourced from PubChem (CID 58100197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).