13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane

C14H28O4 — CID 59686750

IUPAC13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane
SMILESCC(C)C1CCOCCOCCOCCOCC1
InChIInChI=1S/C14H28O4/c1-13(2)14-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14/h13-14H,3-12H2,1-2H3
InChIKeyAENAOQYOUKGMGX-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.12
Rot. Bonds1

About 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane

13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane (PubChem CID 59686750) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane.

Molecular Properties

Compound Name13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane
PubChem CID59686750
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane
SMILESCC(C)C1CCOCCOCCOCCOCC1
InChIInChI=1S/C14H28O4/c1-13(2)14-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14/h13-14H,3-12H2,1-2H3
InChIKeyAENAOQYOUKGMGX-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane?
The IUPAC name of 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane (CID 59686750) is 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane.
What is the SMILES notation for 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane?
The canonical SMILES for 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane is CC(C)C1CCOCCOCCOCCOCC1.
What is the InChIKey of 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane?
The InChIKey is AENAOQYOUKGMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-13(2)14-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane?
13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane has a molecular weight of 260.37 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-propan-2-yl-1,4,7,10-tetraoxacyclopentadecane is sourced from PubChem (CID 59686750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).