7-methoxy-4,4,6,6-tetramethylheptanoic acid

C12H24O3 — CID 123236488

IUPAC7-methoxy-4,4,6,6-tetramethylheptanoic acid
SMILESCOCC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24O3/c1-11(2,7-6-10(13)14)8-12(3,4)9-15-5/h6-9H2,1-5H3,(H,13,14)
InChIKeyNZSADEHDPRGXRE-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.94
Rot. Bonds7

About 7-methoxy-4,4,6,6-tetramethylheptanoic acid

7-methoxy-4,4,6,6-tetramethylheptanoic acid (PubChem CID 123236488) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 7-methoxy-4,4,6,6-tetramethylheptanoic acid.

Molecular Properties

Compound Name7-methoxy-4,4,6,6-tetramethylheptanoic acid
PubChem CID123236488
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name7-methoxy-4,4,6,6-tetramethylheptanoic acid
SMILESCOCC(C)(C)CC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24O3/c1-11(2,7-6-10(13)14)8-12(3,4)9-15-5/h6-9H2,1-5H3,(H,13,14)
InChIKeyNZSADEHDPRGXRE-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,4,6,6-tetramethylheptanoic acid?
The IUPAC name of 7-methoxy-4,4,6,6-tetramethylheptanoic acid (CID 123236488) is 7-methoxy-4,4,6,6-tetramethylheptanoic acid.
What is the SMILES notation for 7-methoxy-4,4,6,6-tetramethylheptanoic acid?
The canonical SMILES for 7-methoxy-4,4,6,6-tetramethylheptanoic acid is COCC(C)(C)CC(C)(C)CCC(=O)O.
What is the InChIKey of 7-methoxy-4,4,6,6-tetramethylheptanoic acid?
The InChIKey is NZSADEHDPRGXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-11(2,7-6-10(13)14)8-12(3,4)9-15-5/h6-9H2,1-5H3,(H,13,14).
What are the key properties of 7-methoxy-4,4,6,6-tetramethylheptanoic acid?
7-methoxy-4,4,6,6-tetramethylheptanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,4,6,6-tetramethylheptanoic acid is sourced from PubChem (CID 123236488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).