6-ethoxy-2,2-dimethylheptanoic acid

C11H22O3 — CID 58051177

IUPAC6-ethoxy-2,2-dimethylheptanoic acid
SMILESCCOC(C)CCCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-14-9(2)7-6-8-11(3,4)10(12)13/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyZDFLRSFMKYBFSA-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds7

About 6-ethoxy-2,2-dimethylheptanoic acid

6-ethoxy-2,2-dimethylheptanoic acid (PubChem CID 58051177) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 6-ethoxy-2,2-dimethylheptanoic acid.

Molecular Properties

Compound Name6-ethoxy-2,2-dimethylheptanoic acid
PubChem CID58051177
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name6-ethoxy-2,2-dimethylheptanoic acid
SMILESCCOC(C)CCCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-14-9(2)7-6-8-11(3,4)10(12)13/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyZDFLRSFMKYBFSA-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2-dimethylheptanoic acid?
The IUPAC name of 6-ethoxy-2,2-dimethylheptanoic acid (CID 58051177) is 6-ethoxy-2,2-dimethylheptanoic acid.
What is the SMILES notation for 6-ethoxy-2,2-dimethylheptanoic acid?
The canonical SMILES for 6-ethoxy-2,2-dimethylheptanoic acid is CCOC(C)CCCC(C)(C)C(=O)O.
What is the InChIKey of 6-ethoxy-2,2-dimethylheptanoic acid?
The InChIKey is ZDFLRSFMKYBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-14-9(2)7-6-8-11(3,4)10(12)13/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 6-ethoxy-2,2-dimethylheptanoic acid?
6-ethoxy-2,2-dimethylheptanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2-dimethylheptanoic acid is sourced from PubChem (CID 58051177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).