1,3,6,8-tetraoxecane

C6H12O4 — CID 19993864

IUPAC1,3,6,8-tetraoxecane
SMILESC1COCOCCOCO1
InChIInChI=1S/C6H12O4/c1-2-8-6-10-4-3-9-5-7-1/h1-6H2
InChIKeyJXPFMLAMOCPRQB-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.02
Rot. Bonds

About 1,3,6,8-tetraoxecane

1,3,6,8-tetraoxecane (PubChem CID 19993864) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,3,6,8-tetraoxecane.

Molecular Properties

Compound Name1,3,6,8-tetraoxecane
PubChem CID19993864
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name1,3,6,8-tetraoxecane
SMILESC1COCOCCOCO1
InChIInChI=1S/C6H12O4/c1-2-8-6-10-4-3-9-5-7-1/h1-6H2
InChIKeyJXPFMLAMOCPRQB-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15396088
1,3-dioxolane;ethane
CID 91327375
1,3-dioxolane;ethane
CID 90816519
1,3-dioxolane;oxolane
CID 23437621
1,3,6-trioxacyclohexadecane
CID 139860202
1,3,5,7-tetraoxecane
CID 172810218
1,3-dioxacycloheptadecane
CID 54126867
lithium;1,3-dioxolane;nitrate
CID 172683754
1,3-dioxolane;dithiolane
CID 159036653
methane;oxirane
CID 21257745
neon;oxirane
CID 175793141
1,4-dioxane
CID 161483686

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetraoxecane?
The IUPAC name of 1,3,6,8-tetraoxecane (CID 19993864) is 1,3,6,8-tetraoxecane.
What is the SMILES notation for 1,3,6,8-tetraoxecane?
The canonical SMILES for 1,3,6,8-tetraoxecane is C1COCOCCOCO1.
What is the InChIKey of 1,3,6,8-tetraoxecane?
The InChIKey is JXPFMLAMOCPRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-2-8-6-10-4-3-9-5-7-1/h1-6H2.
What are the key properties of 1,3,6,8-tetraoxecane?
1,3,6,8-tetraoxecane has a molecular weight of 148.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetraoxecane is sourced from PubChem (CID 19993864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).