1,1-dimethoxydecane

C12H26O2 — CID 24513

IUPAC1,1-dimethoxydecane
SMILESCCCCCCCCCC(OC)OC
InChIInChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChIKeyNCRNCSZWOOYBQF-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.75
Rot. Bonds10

About 1,1-dimethoxydecane

1,1-dimethoxydecane (PubChem CID 24513) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,1-dimethoxydecane.

Molecular Properties

Compound Name1,1-dimethoxydecane
PubChem CID24513
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1,1-dimethoxydecane
SMILESCCCCCCCCCC(OC)OC
InChIInChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChIKeyNCRNCSZWOOYBQF-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxydecane?
The IUPAC name of 1,1-dimethoxydecane (CID 24513) is 1,1-dimethoxydecane.
What is the SMILES notation for 1,1-dimethoxydecane?
The canonical SMILES for 1,1-dimethoxydecane is CCCCCCCCCC(OC)OC.
What is the InChIKey of 1,1-dimethoxydecane?
The InChIKey is NCRNCSZWOOYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3.
What are the key properties of 1,1-dimethoxydecane?
1,1-dimethoxydecane has a molecular weight of 202.34 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxydecane is sourced from PubChem (CID 24513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).