(5-ethyl-4-oxononan-3-yl) methyl carbonate

C13H24O4 — CID 139947390

IUPAC(5-ethyl-4-oxononan-3-yl) methyl carbonate
SMILESCCCCC(CC)C(=O)C(CC)OC(=O)OC
InChIInChI=1S/C13H24O4/c1-5-8-9-10(6-2)12(14)11(7-3)17-13(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyZOZJFEIMRHEKQT-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.33
Rot. Bonds8

About (5-ethyl-4-oxononan-3-yl) methyl carbonate

(5-ethyl-4-oxononan-3-yl) methyl carbonate (PubChem CID 139947390) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (5-ethyl-4-oxononan-3-yl) methyl carbonate.

Molecular Properties

Compound Name(5-ethyl-4-oxononan-3-yl) methyl carbonate
PubChem CID139947390
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(5-ethyl-4-oxononan-3-yl) methyl carbonate
SMILESCCCCC(CC)C(=O)C(CC)OC(=O)OC
InChIInChI=1S/C13H24O4/c1-5-8-9-10(6-2)12(14)11(7-3)17-13(15)16-4/h10-11H,5-9H2,1-4H3
InChIKeyZOZJFEIMRHEKQT-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-oxononan-3-yl) methyl carbonate?
The IUPAC name of (5-ethyl-4-oxononan-3-yl) methyl carbonate (CID 139947390) is (5-ethyl-4-oxononan-3-yl) methyl carbonate.
What is the SMILES notation for (5-ethyl-4-oxononan-3-yl) methyl carbonate?
The canonical SMILES for (5-ethyl-4-oxononan-3-yl) methyl carbonate is CCCCC(CC)C(=O)C(CC)OC(=O)OC.
What is the InChIKey of (5-ethyl-4-oxononan-3-yl) methyl carbonate?
The InChIKey is ZOZJFEIMRHEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-8-9-10(6-2)12(14)11(7-3)17-13(15)16-4/h10-11H,5-9H2,1-4H3.
What are the key properties of (5-ethyl-4-oxononan-3-yl) methyl carbonate?
(5-ethyl-4-oxononan-3-yl) methyl carbonate has a molecular weight of 244.33 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-oxononan-3-yl) methyl carbonate is sourced from PubChem (CID 139947390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).