1,3,6-trioxacyclohexadecane

C13H26O3 — CID 139860202

IUPAC1,3,6-trioxacyclohexadecane
SMILESC1CCCCCOCOCCOCCCC1
InChIInChI=1S/C13H26O3/c1-2-4-6-8-10-15-13-16-12-11-14-9-7-5-3-1/h1-13H2
InChIKeyUQTJHPZCCPYMDI-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.13
Rot. Bonds

About 1,3,6-trioxacyclohexadecane

1,3,6-trioxacyclohexadecane (PubChem CID 139860202) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,3,6-trioxacyclohexadecane.

Molecular Properties

Compound Name1,3,6-trioxacyclohexadecane
PubChem CID139860202
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name1,3,6-trioxacyclohexadecane
SMILESC1CCCCCOCOCCOCCCC1
InChIInChI=1S/C13H26O3/c1-2-4-6-8-10-15-13-16-12-11-14-9-7-5-3-1/h1-13H2
InChIKeyUQTJHPZCCPYMDI-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dioxolane;oxolane
CID 23437621
1,3-dioxacycloheptadecane
CID 54126867
1,4,7-trioxacyclotridecane
CID 118017817
1,2,5-trioxecane
CID 21461492
cyclohexane;oxane
CID 20574508
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
1,2,5-trioxonane
CID 59717904

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trioxacyclohexadecane?
The IUPAC name of 1,3,6-trioxacyclohexadecane (CID 139860202) is 1,3,6-trioxacyclohexadecane.
What is the SMILES notation for 1,3,6-trioxacyclohexadecane?
The canonical SMILES for 1,3,6-trioxacyclohexadecane is C1CCCCCOCOCCOCCCC1.
What is the InChIKey of 1,3,6-trioxacyclohexadecane?
The InChIKey is UQTJHPZCCPYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-2-4-6-8-10-15-13-16-12-11-14-9-7-5-3-1/h1-13H2.
What are the key properties of 1,3,6-trioxacyclohexadecane?
1,3,6-trioxacyclohexadecane has a molecular weight of 230.35 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trioxacyclohexadecane is sourced from PubChem (CID 139860202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).