(5-acetyloxy-3-methylcyclopentadecyl) acetate

C20H36O4 — CID 11405083

IUPAC(5-acetyloxy-3-methylcyclopentadecyl) acetate
SMILESCC(=O)OC1CCCCCCCCCCC(OC(C)=O)CC(C)C1
InChIInChI=1S/C20H36O4/c1-16-14-19(23-17(2)21)12-10-8-6-4-5-7-9-11-13-20(15-16)24-18(3)22/h16,19-20H,4-15H2,1-3H3
InChIKeyUISYSXOBVAYGSW-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.18
Rot. Bonds2

About (5-acetyloxy-3-methylcyclopentadecyl) acetate

(5-acetyloxy-3-methylcyclopentadecyl) acetate (PubChem CID 11405083) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is (5-acetyloxy-3-methylcyclopentadecyl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-3-methylcyclopentadecyl) acetate
PubChem CID11405083
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name(5-acetyloxy-3-methylcyclopentadecyl) acetate
SMILESCC(=O)OC1CCCCCCCCCCC(OC(C)=O)CC(C)C1
InChIInChI=1S/C20H36O4/c1-16-14-19(23-17(2)21)12-10-8-6-4-5-7-9-11-13-20(15-16)24-18(3)22/h16,19-20H,4-15H2,1-3H3
InChIKeyUISYSXOBVAYGSW-UHFFFAOYSA-N
XLogP5.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-3-methylcyclopentadecyl) acetate?
The IUPAC name of (5-acetyloxy-3-methylcyclopentadecyl) acetate (CID 11405083) is (5-acetyloxy-3-methylcyclopentadecyl) acetate.
What is the SMILES notation for (5-acetyloxy-3-methylcyclopentadecyl) acetate?
The canonical SMILES for (5-acetyloxy-3-methylcyclopentadecyl) acetate is CC(=O)OC1CCCCCCCCCCC(OC(C)=O)CC(C)C1.
What is the InChIKey of (5-acetyloxy-3-methylcyclopentadecyl) acetate?
The InChIKey is UISYSXOBVAYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-16-14-19(23-17(2)21)12-10-8-6-4-5-7-9-11-13-20(15-16)24-18(3)22/h16,19-20H,4-15H2,1-3H3.
What are the key properties of (5-acetyloxy-3-methylcyclopentadecyl) acetate?
(5-acetyloxy-3-methylcyclopentadecyl) acetate has a molecular weight of 340.50 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-3-methylcyclopentadecyl) acetate is sourced from PubChem (CID 11405083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).