6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid

C15H26O5 — CID 57219883

IUPAC6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid
SMILESCC=C(C)C(=O)OC(CC(C)(C)CO)C(C)(C)C(=O)O
InChIInChI=1S/C15H26O5/c1-7-10(2)12(17)20-11(8-14(3,4)9-16)15(5,6)13(18)19/h7,11,16H,8-9H2,1-6H3,(H,18,19)
InChIKeyMSOMRGOGGAESNP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.38
Rot. Bonds7

About 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid

6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid (PubChem CID 57219883) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid.

Molecular Properties

Compound Name6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid
PubChem CID57219883
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid
SMILESCC=C(C)C(=O)OC(CC(C)(C)CO)C(C)(C)C(=O)O
InChIInChI=1S/C15H26O5/c1-7-10(2)12(17)20-11(8-14(3,4)9-16)15(5,6)13(18)19/h7,11,16H,8-9H2,1-6H3,(H,18,19)
InChIKeyMSOMRGOGGAESNP-UHFFFAOYSA-N
XLogP2.38
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid?
The IUPAC name of 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid (CID 57219883) is 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid.
What is the SMILES notation for 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid?
The canonical SMILES for 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid is CC=C(C)C(=O)OC(CC(C)(C)CO)C(C)(C)C(=O)O.
What is the InChIKey of 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid?
The InChIKey is MSOMRGOGGAESNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-7-10(2)12(17)20-11(8-14(3,4)9-16)15(5,6)13(18)19/h7,11,16H,8-9H2,1-6H3,(H,18,19).
What are the key properties of 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid?
6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2,5,5-tetramethyl-3-(2-methylbut-2-enoyloxy)hexanoic acid is sourced from PubChem (CID 57219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).