(3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate

C15H30O5 — CID 22646011

IUPAC(3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate
SMILESCC(C)(CO)COC(=O)C(C)(C)C(O)CC(C)(C)CO
InChIInChI=1S/C15H30O5/c1-13(2,8-16)7-11(18)15(5,6)12(19)20-10-14(3,4)9-17/h11,16-18H,7-10H2,1-6H3
InChIKeyRSCZIEJGXVGHSG-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.34
Rot. Bonds8

About (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate

(3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate (PubChem CID 22646011) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate
PubChem CID22646011
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name(3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate
SMILESCC(C)(CO)COC(=O)C(C)(C)C(O)CC(C)(C)CO
InChIInChI=1S/C15H30O5/c1-13(2,8-16)7-11(18)15(5,6)12(19)20-10-14(3,4)9-17/h11,16-18H,7-10H2,1-6H3
InChIKeyRSCZIEJGXVGHSG-UHFFFAOYSA-N
XLogP1.34
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate?
The IUPAC name of (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate (CID 22646011) is (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate.
What is the SMILES notation for (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate?
The canonical SMILES for (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate is CC(C)(CO)COC(=O)C(C)(C)C(O)CC(C)(C)CO.
What is the InChIKey of (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate?
The InChIKey is RSCZIEJGXVGHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-13(2,8-16)7-11(18)15(5,6)12(19)20-10-14(3,4)9-17/h11,16-18H,7-10H2,1-6H3.
What are the key properties of (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate?
(3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate has a molecular weight of 290.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethylpropyl) 3,6-dihydroxy-2,2,5,5-tetramethylhexanoate is sourced from PubChem (CID 22646011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).