(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate

C14H28O4 — CID 59866383

IUPAC(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate
SMILESCCC(C)(C)CC(C)(C)C(=O)OCC(CO)OC
InChIInChI=1S/C14H28O4/c1-7-13(2,3)10-14(4,5)12(16)18-9-11(8-15)17-6/h11,15H,7-10H2,1-6H3
InChIKeyVYOFHNOHGKUGHT-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.39
Rot. Bonds8

About (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate

(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate (PubChem CID 59866383) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate.

Molecular Properties

Compound Name(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate
PubChem CID59866383
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate
SMILESCCC(C)(C)CC(C)(C)C(=O)OCC(CO)OC
InChIInChI=1S/C14H28O4/c1-7-13(2,3)10-14(4,5)12(16)18-9-11(8-15)17-6/h11,15H,7-10H2,1-6H3
InChIKeyVYOFHNOHGKUGHT-UHFFFAOYSA-N
XLogP2.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate?
The IUPAC name of (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate (CID 59866383) is (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate.
What is the SMILES notation for (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate?
The canonical SMILES for (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate is CCC(C)(C)CC(C)(C)C(=O)OCC(CO)OC.
What is the InChIKey of (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate?
The InChIKey is VYOFHNOHGKUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-7-13(2,3)10-14(4,5)12(16)18-9-11(8-15)17-6/h11,15H,7-10H2,1-6H3.
What are the key properties of (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate?
(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate has a molecular weight of 260.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate is sourced from PubChem (CID 59866383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).