2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid

C16H30O4 — CID 70994716

IUPAC2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid
SMILESCCC(C)(CCC(C)CCCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C16H30O4/c1-5-15(3,14(17)18)10-8-13(2)7-6-9-16(4)19-11-12-20-16/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyGHJYVRJKCYDOLZ-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.84
Rot. Bonds9

About 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid

2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid (PubChem CID 70994716) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid.

Molecular Properties

Compound Name2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid
PubChem CID70994716
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid
SMILESCCC(C)(CCC(C)CCCC1(C)OCCO1)C(=O)O
InChIInChI=1S/C16H30O4/c1-5-15(3,14(17)18)10-8-13(2)7-6-9-16(4)19-11-12-20-16/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyGHJYVRJKCYDOLZ-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid?
The IUPAC name of 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid (CID 70994716) is 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid.
What is the SMILES notation for 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid?
The canonical SMILES for 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid is CCC(C)(CCC(C)CCCC1(C)OCCO1)C(=O)O.
What is the InChIKey of 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid?
The InChIKey is GHJYVRJKCYDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-5-15(3,14(17)18)10-8-13(2)7-6-9-16(4)19-11-12-20-16/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid?
2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid has a molecular weight of 286.41 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid is sourced from PubChem (CID 70994716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).