3,4-dimethoxy-2,3,5-trimethylhexane

C11H24O2 — CID 18716114

IUPAC3,4-dimethoxy-2,3,5-trimethylhexane
SMILESCOC(C(C)C)C(C)(OC)C(C)C
InChIInChI=1S/C11H24O2/c1-8(2)10(12-6)11(5,13-7)9(3)4/h8-10H,1-7H3
InChIKeyXZDHNJIDVNWLHD-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.72
Rot. Bonds5

About 3,4-dimethoxy-2,3,5-trimethylhexane

3,4-dimethoxy-2,3,5-trimethylhexane (PubChem CID 18716114) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3,4-dimethoxy-2,3,5-trimethylhexane.

Molecular Properties

Compound Name3,4-dimethoxy-2,3,5-trimethylhexane
PubChem CID18716114
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3,4-dimethoxy-2,3,5-trimethylhexane
SMILESCOC(C(C)C)C(C)(OC)C(C)C
InChIInChI=1S/C11H24O2/c1-8(2)10(12-6)11(5,13-7)9(3)4/h8-10H,1-7H3
InChIKeyXZDHNJIDVNWLHD-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2,3,5-trimethylhexane?
The IUPAC name of 3,4-dimethoxy-2,3,5-trimethylhexane (CID 18716114) is 3,4-dimethoxy-2,3,5-trimethylhexane.
What is the SMILES notation for 3,4-dimethoxy-2,3,5-trimethylhexane?
The canonical SMILES for 3,4-dimethoxy-2,3,5-trimethylhexane is COC(C(C)C)C(C)(OC)C(C)C.
What is the InChIKey of 3,4-dimethoxy-2,3,5-trimethylhexane?
The InChIKey is XZDHNJIDVNWLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-8(2)10(12-6)11(5,13-7)9(3)4/h8-10H,1-7H3.
What are the key properties of 3,4-dimethoxy-2,3,5-trimethylhexane?
3,4-dimethoxy-2,3,5-trimethylhexane has a molecular weight of 188.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2,3,5-trimethylhexane is sourced from PubChem (CID 18716114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).