1,1,2,2-tetramethoxyoctane

C12H26O4 — CID 15697911

IUPAC1,1,2,2-tetramethoxyoctane
SMILESCCCCCCC(OC)(OC)C(OC)OC
InChIInChI=1S/C12H26O4/c1-6-7-8-9-10-12(15-4,16-5)11(13-2)14-3/h11H,6-10H2,1-5H3
InChIKeyHEDRJGLGPBDJDU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds10

About 1,1,2,2-tetramethoxyoctane

1,1,2,2-tetramethoxyoctane (PubChem CID 15697911) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,1,2,2-tetramethoxyoctane.

Molecular Properties

Compound Name1,1,2,2-tetramethoxyoctane
PubChem CID15697911
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1,1,2,2-tetramethoxyoctane
SMILESCCCCCCC(OC)(OC)C(OC)OC
InChIInChI=1S/C12H26O4/c1-6-7-8-9-10-12(15-4,16-5)11(13-2)14-3/h11H,6-10H2,1-5H3
InChIKeyHEDRJGLGPBDJDU-UHFFFAOYSA-N
XLogP2.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

10,10-dimethoxy-9-methyloctacosane
CID 151883229
7,7-dimethoxy-8-methylhexadecane
CID 150332936
10,10-dimethoxy-9-methylhenicosane
CID 150642222
2,2-dibutoxy-1-(2,2-dibutoxy-1-methoxytetradecoxy)-1-methoxytetradecane
CID 175166358
5-(dimethoxymethyl)-5-methylundecane
CID 139546819
1,1-dimethoxy-2,2-dimethylheptane
CID 173169063
5,5-dimethoxy-6-methyltetradecane
CID 150194841
3,3-dimethoxynonane
CID 14785776
3-ethyl-3-methoxydecane
CID 89190150
1,1-dimethoxy-2-methylheptan-2-ol
CID 66038845
1,1,1-trimethoxytridecane
CID 102481821
11-methoxy-11-nonyltetracosane
CID 159441841

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethoxyoctane?
The IUPAC name of 1,1,2,2-tetramethoxyoctane (CID 15697911) is 1,1,2,2-tetramethoxyoctane.
What is the SMILES notation for 1,1,2,2-tetramethoxyoctane?
The canonical SMILES for 1,1,2,2-tetramethoxyoctane is CCCCCCC(OC)(OC)C(OC)OC.
What is the InChIKey of 1,1,2,2-tetramethoxyoctane?
The InChIKey is HEDRJGLGPBDJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-6-7-8-9-10-12(15-4,16-5)11(13-2)14-3/h11H,6-10H2,1-5H3.
What are the key properties of 1,1,2,2-tetramethoxyoctane?
1,1,2,2-tetramethoxyoctane has a molecular weight of 234.34 g/mol, XLogP of 2.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethoxyoctane is sourced from PubChem (CID 15697911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).