4-ethyl-3,3-dimethoxyhexane

C10H22O2 — CID 142052491

IUPAC4-ethyl-3,3-dimethoxyhexane
SMILESCCC(CC)C(CC)(OC)OC
InChIInChI=1S/C10H22O2/c1-6-9(7-2)10(8-3,11-4)12-5/h9H,6-8H2,1-5H3
InChIKeyZWDMUGOTJRJHGG-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.82
Rot. Bonds6

About 4-ethyl-3,3-dimethoxyhexane

4-ethyl-3,3-dimethoxyhexane (PubChem CID 142052491) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 4-ethyl-3,3-dimethoxyhexane.

Molecular Properties

Compound Name4-ethyl-3,3-dimethoxyhexane
PubChem CID142052491
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name4-ethyl-3,3-dimethoxyhexane
SMILESCCC(CC)C(CC)(OC)OC
InChIInChI=1S/C10H22O2/c1-6-9(7-2)10(8-3,11-4)12-5/h9H,6-8H2,1-5H3
InChIKeyZWDMUGOTJRJHGG-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.82
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-ethyl-3,3-dimethoxyhexane?
The IUPAC name of 4-ethyl-3,3-dimethoxyhexane (CID 142052491) is 4-ethyl-3,3-dimethoxyhexane.
What is the SMILES notation for 4-ethyl-3,3-dimethoxyhexane?
The canonical SMILES for 4-ethyl-3,3-dimethoxyhexane is CCC(CC)C(CC)(OC)OC.
What is the InChIKey of 4-ethyl-3,3-dimethoxyhexane?
The InChIKey is ZWDMUGOTJRJHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-6-9(7-2)10(8-3,11-4)12-5/h9H,6-8H2,1-5H3.
What are the key properties of 4-ethyl-3,3-dimethoxyhexane?
4-ethyl-3,3-dimethoxyhexane has a molecular weight of 174.28 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,3-dimethoxyhexane is sourced from PubChem (CID 142052491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).