4,4-dimethoxy-2,6-dimethylheptane

C11H24O2 — CID 10899410

IUPAC4,4-dimethoxy-2,6-dimethylheptane
SMILESCOC(CC(C)C)(CC(C)C)OC
InChIInChI=1S/C11H24O2/c1-9(2)7-11(12-5,13-6)8-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyZCWXQRMXBYFJGF-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.07
Rot. Bonds6

About 4,4-dimethoxy-2,6-dimethylheptane

4,4-dimethoxy-2,6-dimethylheptane (PubChem CID 10899410) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 4,4-dimethoxy-2,6-dimethylheptane.

Molecular Properties

Compound Name4,4-dimethoxy-2,6-dimethylheptane
PubChem CID10899410
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name4,4-dimethoxy-2,6-dimethylheptane
SMILESCOC(CC(C)C)(CC(C)C)OC
InChIInChI=1S/C11H24O2/c1-9(2)7-11(12-5,13-6)8-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyZCWXQRMXBYFJGF-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2,6-dimethylheptane?
The IUPAC name of 4,4-dimethoxy-2,6-dimethylheptane (CID 10899410) is 4,4-dimethoxy-2,6-dimethylheptane.
What is the SMILES notation for 4,4-dimethoxy-2,6-dimethylheptane?
The canonical SMILES for 4,4-dimethoxy-2,6-dimethylheptane is COC(CC(C)C)(CC(C)C)OC.
What is the InChIKey of 4,4-dimethoxy-2,6-dimethylheptane?
The InChIKey is ZCWXQRMXBYFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-9(2)7-11(12-5,13-6)8-10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 4,4-dimethoxy-2,6-dimethylheptane?
4,4-dimethoxy-2,6-dimethylheptane has a molecular weight of 188.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2,6-dimethylheptane is sourced from PubChem (CID 10899410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).