4,10,15-trioxabicyclo[5.5.5]heptadecane

C14H26O3 — CID 59876117

IUPAC4,10,15-trioxabicyclo[5.5.5]heptadecane
SMILESC1CC2CCOCCC(CCO1)CCOCC2
InChIInChI=1S/C14H26O3/c1-7-15-10-4-14-5-11-16-8-2-13(1)3-9-17-12-6-14/h13-14H,1-12H2
InChIKeyDRBVCDPWWBGWEC-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.64
Rot. Bonds

About 4,10,15-trioxabicyclo[5.5.5]heptadecane

4,10,15-trioxabicyclo[5.5.5]heptadecane (PubChem CID 59876117) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4,10,15-trioxabicyclo[5.5.5]heptadecane.

Molecular Properties

Compound Name4,10,15-trioxabicyclo[5.5.5]heptadecane
PubChem CID59876117
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4,10,15-trioxabicyclo[5.5.5]heptadecane
SMILESC1CC2CCOCCC(CCO1)CCOCC2
InChIInChI=1S/C14H26O3/c1-7-15-10-4-14-5-11-16-8-2-13(1)3-9-17-12-6-14/h13-14H,1-12H2
InChIKeyDRBVCDPWWBGWEC-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,5-Dimethoxy-3-methylpentane
CID 20571170
3-Methyl-1-(2-methylbutoxy)pentane
CID 20793775
1-Methoxy-3-(2-methoxyethyl)-4-methylpentane
CID 20828153
3-(Pentoxymethyl)pentane
CID 22002797
3-Ethyl-1-propoxypentane
CID 22002854
3-Ethyl-1-pentoxypentane
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CID 22002927

Frequently Asked Questions

What is the IUPAC name of 4,10,15-trioxabicyclo[5.5.5]heptadecane?
The IUPAC name of 4,10,15-trioxabicyclo[5.5.5]heptadecane (CID 59876117) is 4,10,15-trioxabicyclo[5.5.5]heptadecane.
What is the SMILES notation for 4,10,15-trioxabicyclo[5.5.5]heptadecane?
The canonical SMILES for 4,10,15-trioxabicyclo[5.5.5]heptadecane is C1CC2CCOCCC(CCO1)CCOCC2.
What is the InChIKey of 4,10,15-trioxabicyclo[5.5.5]heptadecane?
The InChIKey is DRBVCDPWWBGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-7-15-10-4-14-5-11-16-8-2-13(1)3-9-17-12-6-14/h13-14H,1-12H2.
What are the key properties of 4,10,15-trioxabicyclo[5.5.5]heptadecane?
4,10,15-trioxabicyclo[5.5.5]heptadecane has a molecular weight of 242.36 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,15-trioxabicyclo[5.5.5]heptadecane is sourced from PubChem (CID 59876117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).