1,3,5,7-tetraoxecane

C6H12O4 — CID 172810218

IUPAC1,3,5,7-tetraoxecane
SMILESC1COCOCOCOC1
InChIInChI=1S/C6H12O4/c1-2-7-4-9-6-10-5-8-3-1/h1-6H2
InChIKeySBMVSPVXNSBCOI-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.33
Rot. Bonds

About 1,3,5,7-tetraoxecane

1,3,5,7-tetraoxecane (PubChem CID 172810218) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,3,5,7-tetraoxecane.

Molecular Properties

Compound Name1,3,5,7-tetraoxecane
PubChem CID172810218
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name1,3,5,7-tetraoxecane
SMILESC1COCOCOCOC1
InChIInChI=1S/C6H12O4/c1-2-7-4-9-6-10-5-8-3-1/h1-6H2
InChIKeySBMVSPVXNSBCOI-UHFFFAOYSA-N
XLogP0.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetraoxecane?
The IUPAC name of 1,3,5,7-tetraoxecane (CID 172810218) is 1,3,5,7-tetraoxecane.
What is the SMILES notation for 1,3,5,7-tetraoxecane?
The canonical SMILES for 1,3,5,7-tetraoxecane is C1COCOCOCOC1.
What is the InChIKey of 1,3,5,7-tetraoxecane?
The InChIKey is SBMVSPVXNSBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-2-7-4-9-6-10-5-8-3-1/h1-6H2.
What are the key properties of 1,3,5,7-tetraoxecane?
1,3,5,7-tetraoxecane has a molecular weight of 148.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetraoxecane is sourced from PubChem (CID 172810218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).