2,2-dimethoxy-4-methyloxane

C8H16O3 — CID 13134669

IUPAC2,2-dimethoxy-4-methyloxane
SMILESCOC1(OC)CC(C)CCO1
InChIInChI=1S/C8H16O3/c1-7-4-5-11-8(6-7,9-2)10-3/h7H,4-6H2,1-3H3
InChIKeyJDYMCVSXJHTLCZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.38
Rot. Bonds2

About 2,2-dimethoxy-4-methyloxane

2,2-dimethoxy-4-methyloxane (PubChem CID 13134669) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,2-dimethoxy-4-methyloxane.

Molecular Properties

Compound Name2,2-dimethoxy-4-methyloxane
PubChem CID13134669
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,2-dimethoxy-4-methyloxane
SMILESCOC1(OC)CC(C)CCO1
InChIInChI=1S/C8H16O3/c1-7-4-5-11-8(6-7,9-2)10-3/h7H,4-6H2,1-3H3
InChIKeyJDYMCVSXJHTLCZ-UHFFFAOYSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2-dimethoxy-4-methyloxane?
The IUPAC name of 2,2-dimethoxy-4-methyloxane (CID 13134669) is 2,2-dimethoxy-4-methyloxane.
What is the SMILES notation for 2,2-dimethoxy-4-methyloxane?
The canonical SMILES for 2,2-dimethoxy-4-methyloxane is COC1(OC)CC(C)CCO1.
What is the InChIKey of 2,2-dimethoxy-4-methyloxane?
The InChIKey is JDYMCVSXJHTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7-4-5-11-8(6-7,9-2)10-3/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethoxy-4-methyloxane?
2,2-dimethoxy-4-methyloxane has a molecular weight of 160.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-4-methyloxane is sourced from PubChem (CID 13134669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).