1,3-dioxacycloheptadecane

C15H30O2 — CID 54126867

IUPAC1,3-dioxacycloheptadecane
SMILESC1CCCCCCCOCOCCCCCC1
InChIInChI=1S/C15H30O2/c1-2-4-6-8-10-12-14-17-15-16-13-11-9-7-5-3-1/h1-15H2
InChIKeyNROQXEVTJZQBEL-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.67
Rot. Bonds

About 1,3-dioxacycloheptadecane

1,3-dioxacycloheptadecane (PubChem CID 54126867) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1,3-dioxacycloheptadecane.

Molecular Properties

Compound Name1,3-dioxacycloheptadecane
PubChem CID54126867
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1,3-dioxacycloheptadecane
SMILESC1CCCCCCCOCOCCCCCC1
InChIInChI=1S/C15H30O2/c1-2-4-6-8-10-12-14-17-15-16-13-11-9-7-5-3-1/h1-15H2
InChIKeyNROQXEVTJZQBEL-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxacycloheptadecane?
The IUPAC name of 1,3-dioxacycloheptadecane (CID 54126867) is 1,3-dioxacycloheptadecane.
What is the SMILES notation for 1,3-dioxacycloheptadecane?
The canonical SMILES for 1,3-dioxacycloheptadecane is C1CCCCCCCOCOCCCCCC1.
What is the InChIKey of 1,3-dioxacycloheptadecane?
The InChIKey is NROQXEVTJZQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-2-4-6-8-10-12-14-17-15-16-13-11-9-7-5-3-1/h1-15H2.
What are the key properties of 1,3-dioxacycloheptadecane?
1,3-dioxacycloheptadecane has a molecular weight of 242.40 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxacycloheptadecane is sourced from PubChem (CID 54126867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).