(2-acetyloxy-4,4-dimethylpentyl) acetate

C11H20O4 — CID 18725585

IUPAC(2-acetyloxy-4,4-dimethylpentyl) acetate
SMILESCC(=O)OCC(CC(C)(C)C)OC(C)=O
InChIInChI=1S/C11H20O4/c1-8(12)14-7-10(15-9(2)13)6-11(3,4)5/h10H,6-7H2,1-5H3
InChIKeyMOVKBDVWJDRVDI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds4

About (2-acetyloxy-4,4-dimethylpentyl) acetate

(2-acetyloxy-4,4-dimethylpentyl) acetate (PubChem CID 18725585) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2-acetyloxy-4,4-dimethylpentyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-4,4-dimethylpentyl) acetate
PubChem CID18725585
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2-acetyloxy-4,4-dimethylpentyl) acetate
SMILESCC(=O)OCC(CC(C)(C)C)OC(C)=O
InChIInChI=1S/C11H20O4/c1-8(12)14-7-10(15-9(2)13)6-11(3,4)5/h10H,6-7H2,1-5H3
InChIKeyMOVKBDVWJDRVDI-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-4,4-dimethylpentyl) acetate?
The IUPAC name of (2-acetyloxy-4,4-dimethylpentyl) acetate (CID 18725585) is (2-acetyloxy-4,4-dimethylpentyl) acetate.
What is the SMILES notation for (2-acetyloxy-4,4-dimethylpentyl) acetate?
The canonical SMILES for (2-acetyloxy-4,4-dimethylpentyl) acetate is CC(=O)OCC(CC(C)(C)C)OC(C)=O.
What is the InChIKey of (2-acetyloxy-4,4-dimethylpentyl) acetate?
The InChIKey is MOVKBDVWJDRVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(12)14-7-10(15-9(2)13)6-11(3,4)5/h10H,6-7H2,1-5H3.
What are the key properties of (2-acetyloxy-4,4-dimethylpentyl) acetate?
(2-acetyloxy-4,4-dimethylpentyl) acetate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-4,4-dimethylpentyl) acetate is sourced from PubChem (CID 18725585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).