4,4-dimethoxy-2-methylhexane

C9H20O2 — CID 18667894

IUPAC4,4-dimethoxy-2-methylhexane
SMILESCCC(CC(C)C)(OC)OC
InChIInChI=1S/C9H20O2/c1-6-9(10-4,11-5)7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyYBJSVXBFYDNOMJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.43
Rot. Bonds5

About 4,4-dimethoxy-2-methylhexane

4,4-dimethoxy-2-methylhexane (PubChem CID 18667894) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methylhexane.

Molecular Properties

Compound Name4,4-dimethoxy-2-methylhexane
PubChem CID18667894
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name4,4-dimethoxy-2-methylhexane
SMILESCCC(CC(C)C)(OC)OC
InChIInChI=1S/C9H20O2/c1-6-9(10-4,11-5)7-8(2)3/h8H,6-7H2,1-5H3
InChIKeyYBJSVXBFYDNOMJ-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.43
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-methylhexane?
The IUPAC name of 4,4-dimethoxy-2-methylhexane (CID 18667894) is 4,4-dimethoxy-2-methylhexane.
What is the SMILES notation for 4,4-dimethoxy-2-methylhexane?
The canonical SMILES for 4,4-dimethoxy-2-methylhexane is CCC(CC(C)C)(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-methylhexane?
The InChIKey is YBJSVXBFYDNOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-9(10-4,11-5)7-8(2)3/h8H,6-7H2,1-5H3.
What are the key properties of 4,4-dimethoxy-2-methylhexane?
4,4-dimethoxy-2-methylhexane has a molecular weight of 160.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methylhexane is sourced from PubChem (CID 18667894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).