[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

C15H28O4 — CID 23464144

IUPAC[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
SMILESCCC(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C
InChIInChI=1S/C15H28O4/c1-8-12(19-14(17)11(4)5)15(6,7)9-18-13(16)10(2)3/h10-12H,8-9H2,1-7H3
InChIKeyIQWWQCNHNXIXAY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.19
Rot. Bonds7

About [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate (PubChem CID 23464144) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
PubChem CID23464144
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
SMILESCCC(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C
InChIInChI=1S/C15H28O4/c1-8-12(19-14(17)11(4)5)15(6,7)9-18-13(16)10(2)3/h10-12H,8-9H2,1-7H3
InChIKeyIQWWQCNHNXIXAY-UHFFFAOYSA-N
XLogP3.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate?
The IUPAC name of [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate (CID 23464144) is [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate?
The canonical SMILES for [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate is CCC(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate?
The InChIKey is IQWWQCNHNXIXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-8-12(19-14(17)11(4)5)15(6,7)9-18-13(16)10(2)3/h10-12H,8-9H2,1-7H3.
What are the key properties of [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate?
[2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate has a molecular weight of 272.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate is sourced from PubChem (CID 23464144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).