13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane

C14H28O4 — CID 118475430

IUPAC13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane
SMILESCCC1(C)CCOCCOCCOC(C)COC1
InChIInChI=1S/C14H28O4/c1-4-14(3)5-6-15-7-8-16-9-10-18-13(2)11-17-12-14/h13H,4-12H2,1-3H3
InChIKeyBMAXYGNVSIGIQG-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.26
Rot. Bonds1

About 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane

13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane (PubChem CID 118475430) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane.

Molecular Properties

Compound Name13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane
PubChem CID118475430
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane
SMILESCCC1(C)CCOCCOCCOC(C)COC1
InChIInChI=1S/C14H28O4/c1-4-14(3)5-6-15-7-8-16-9-10-18-13(2)11-17-12-14/h13H,4-12H2,1-3H3
InChIKeyBMAXYGNVSIGIQG-UHFFFAOYSA-N
XLogP2.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane?
The IUPAC name of 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane (CID 118475430) is 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane.
What is the SMILES notation for 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane?
The canonical SMILES for 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane is CCC1(C)CCOCCOCCOC(C)COC1.
What is the InChIKey of 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane?
The InChIKey is BMAXYGNVSIGIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-4-14(3)5-6-15-7-8-16-9-10-18-13(2)11-17-12-14/h13H,4-12H2,1-3H3.
What are the key properties of 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane?
13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane has a molecular weight of 260.37 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-3,13-dimethyl-1,4,7,10-tetraoxacyclotetradecane is sourced from PubChem (CID 118475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).