1,2-dimethoxy-3,3-dimethylpentane

C9H20O2 — CID 91612373

IUPAC1,2-dimethoxy-3,3-dimethylpentane
SMILESCCC(C)(C)C(COC)OC
InChIInChI=1S/C9H20O2/c1-6-9(2,3)8(11-5)7-10-4/h8H,6-7H2,1-5H3
InChIKeyOAXVGJDHSYMLGF-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds5

About 1,2-dimethoxy-3,3-dimethylpentane

1,2-dimethoxy-3,3-dimethylpentane (PubChem CID 91612373) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2-dimethoxy-3,3-dimethylpentane.

Molecular Properties

Compound Name1,2-dimethoxy-3,3-dimethylpentane
PubChem CID91612373
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,2-dimethoxy-3,3-dimethylpentane
SMILESCCC(C)(C)C(COC)OC
InChIInChI=1S/C9H20O2/c1-6-9(2,3)8(11-5)7-10-4/h8H,6-7H2,1-5H3
InChIKeyOAXVGJDHSYMLGF-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3,3-dimethylpentane?
The IUPAC name of 1,2-dimethoxy-3,3-dimethylpentane (CID 91612373) is 1,2-dimethoxy-3,3-dimethylpentane.
What is the SMILES notation for 1,2-dimethoxy-3,3-dimethylpentane?
The canonical SMILES for 1,2-dimethoxy-3,3-dimethylpentane is CCC(C)(C)C(COC)OC.
What is the InChIKey of 1,2-dimethoxy-3,3-dimethylpentane?
The InChIKey is OAXVGJDHSYMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-9(2,3)8(11-5)7-10-4/h8H,6-7H2,1-5H3.
What are the key properties of 1,2-dimethoxy-3,3-dimethylpentane?
1,2-dimethoxy-3,3-dimethylpentane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3,3-dimethylpentane is sourced from PubChem (CID 91612373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).