1,3-dimethoxy-2-methyldecane

C13H28O2 — CID 87997543

IUPAC1,3-dimethoxy-2-methyldecane
SMILESCCCCCCCC(OC)C(C)COC
InChIInChI=1S/C13H28O2/c1-5-6-7-8-9-10-13(15-4)12(2)11-14-3/h12-13H,5-11H2,1-4H3
InChIKeyNWSHXXODZZQGBK-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds10

About 1,3-dimethoxy-2-methyldecane

1,3-dimethoxy-2-methyldecane (PubChem CID 87997543) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methyldecane.

Molecular Properties

Compound Name1,3-dimethoxy-2-methyldecane
PubChem CID87997543
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1,3-dimethoxy-2-methyldecane
SMILESCCCCCCCC(OC)C(C)COC
InChIInChI=1S/C13H28O2/c1-5-6-7-8-9-10-13(15-4)12(2)11-14-3/h12-13H,5-11H2,1-4H3
InChIKeyNWSHXXODZZQGBK-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methyldecane?
The IUPAC name of 1,3-dimethoxy-2-methyldecane (CID 87997543) is 1,3-dimethoxy-2-methyldecane.
What is the SMILES notation for 1,3-dimethoxy-2-methyldecane?
The canonical SMILES for 1,3-dimethoxy-2-methyldecane is CCCCCCCC(OC)C(C)COC.
What is the InChIKey of 1,3-dimethoxy-2-methyldecane?
The InChIKey is NWSHXXODZZQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-6-7-8-9-10-13(15-4)12(2)11-14-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1,3-dimethoxy-2-methyldecane?
1,3-dimethoxy-2-methyldecane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methyldecane is sourced from PubChem (CID 87997543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).