(6-acetyloxycyclodecyl) acetate

C14H24O4 — CID 539578

IUPAC(6-acetyloxycyclodecyl) acetate
SMILESCC(=O)OC1CCCCC(OC(C)=O)CCCC1
InChIInChI=1S/C14H24O4/c1-11(15)17-13-7-3-5-9-14(18-12(2)16)10-6-4-8-13/h13-14H,3-10H2,1-2H3
InChIKeyNGFFIGRSTDNKRZ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.98
Rot. Bonds2

About (6-acetyloxycyclodecyl) acetate

(6-acetyloxycyclodecyl) acetate (PubChem CID 539578) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (6-acetyloxycyclodecyl) acetate.

Molecular Properties

Compound Name(6-acetyloxycyclodecyl) acetate
PubChem CID539578
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(6-acetyloxycyclodecyl) acetate
SMILESCC(=O)OC1CCCCC(OC(C)=O)CCCC1
InChIInChI=1S/C14H24O4/c1-11(15)17-13-7-3-5-9-14(18-12(2)16)10-6-4-8-13/h13-14H,3-10H2,1-2H3
InChIKeyNGFFIGRSTDNKRZ-UHFFFAOYSA-N
XLogP2.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-acetyloxycyclodecyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxycyclodecyl) acetate?
The IUPAC name of (6-acetyloxycyclodecyl) acetate (CID 539578) is (6-acetyloxycyclodecyl) acetate.
What is the SMILES notation for (6-acetyloxycyclodecyl) acetate?
The canonical SMILES for (6-acetyloxycyclodecyl) acetate is CC(=O)OC1CCCCC(OC(C)=O)CCCC1.
What is the InChIKey of (6-acetyloxycyclodecyl) acetate?
The InChIKey is NGFFIGRSTDNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-11(15)17-13-7-3-5-9-14(18-12(2)16)10-6-4-8-13/h13-14H,3-10H2,1-2H3.
What are the key properties of (6-acetyloxycyclodecyl) acetate?
(6-acetyloxycyclodecyl) acetate has a molecular weight of 256.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxycyclodecyl) acetate is sourced from PubChem (CID 539578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).