3-(dimethoxymethyl)-2,3-dimethylheptane

C12H26O2 — CID 175226933

IUPAC3-(dimethoxymethyl)-2,3-dimethylheptane
SMILESCCCCC(C)(C(C)C)C(OC)OC
InChIInChI=1S/C12H26O2/c1-7-8-9-12(4,10(2)3)11(13-5)14-6/h10-11H,7-9H2,1-6H3
InChIKeyCJNBJGIQYIGQAS-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.46
Rot. Bonds7

About 3-(dimethoxymethyl)-2,3-dimethylheptane

3-(dimethoxymethyl)-2,3-dimethylheptane (PubChem CID 175226933) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-2,3-dimethylheptane.

Molecular Properties

Compound Name3-(dimethoxymethyl)-2,3-dimethylheptane
PubChem CID175226933
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-(dimethoxymethyl)-2,3-dimethylheptane
SMILESCCCCC(C)(C(C)C)C(OC)OC
InChIInChI=1S/C12H26O2/c1-7-8-9-12(4,10(2)3)11(13-5)14-6/h10-11H,7-9H2,1-6H3
InChIKeyCJNBJGIQYIGQAS-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.46
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-(dimethoxymethyl)-2,3-dimethylheptane?
The IUPAC name of 3-(dimethoxymethyl)-2,3-dimethylheptane (CID 175226933) is 3-(dimethoxymethyl)-2,3-dimethylheptane.
What is the SMILES notation for 3-(dimethoxymethyl)-2,3-dimethylheptane?
The canonical SMILES for 3-(dimethoxymethyl)-2,3-dimethylheptane is CCCCC(C)(C(C)C)C(OC)OC.
What is the InChIKey of 3-(dimethoxymethyl)-2,3-dimethylheptane?
The InChIKey is CJNBJGIQYIGQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-7-8-9-12(4,10(2)3)11(13-5)14-6/h10-11H,7-9H2,1-6H3.
What are the key properties of 3-(dimethoxymethyl)-2,3-dimethylheptane?
3-(dimethoxymethyl)-2,3-dimethylheptane has a molecular weight of 202.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-2,3-dimethylheptane is sourced from PubChem (CID 175226933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).