3,3-dimethoxy-2,5-dimethylhexane

C10H22O2 — CID 130439483

IUPAC3,3-dimethoxy-2,5-dimethylhexane
SMILESCOC(CC(C)C)(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-8(2)7-10(11-5,12-6)9(3)4/h8-9H,7H2,1-6H3
InChIKeyUZUBOSYABIMEAG-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.68
Rot. Bonds5

About 3,3-dimethoxy-2,5-dimethylhexane

3,3-dimethoxy-2,5-dimethylhexane (PubChem CID 130439483) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,3-dimethoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name3,3-dimethoxy-2,5-dimethylhexane
PubChem CID130439483
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,3-dimethoxy-2,5-dimethylhexane
SMILESCOC(CC(C)C)(OC)C(C)C
InChIInChI=1S/C10H22O2/c1-8(2)7-10(11-5,12-6)9(3)4/h8-9H,7H2,1-6H3
InChIKeyUZUBOSYABIMEAG-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.68
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 3,3-dimethoxy-2,5-dimethylhexane?
The IUPAC name of 3,3-dimethoxy-2,5-dimethylhexane (CID 130439483) is 3,3-dimethoxy-2,5-dimethylhexane.
What is the SMILES notation for 3,3-dimethoxy-2,5-dimethylhexane?
The canonical SMILES for 3,3-dimethoxy-2,5-dimethylhexane is COC(CC(C)C)(OC)C(C)C.
What is the InChIKey of 3,3-dimethoxy-2,5-dimethylhexane?
The InChIKey is UZUBOSYABIMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-8(2)7-10(11-5,12-6)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of 3,3-dimethoxy-2,5-dimethylhexane?
3,3-dimethoxy-2,5-dimethylhexane has a molecular weight of 174.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2,5-dimethylhexane is sourced from PubChem (CID 130439483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).