[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate

C15H28O7 — CID 101287114

IUPAC[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate
SMILESCC(O)CCC(=O)OCC(C)(CO)COC(=O)CCC(C)O
InChIInChI=1S/C15H28O7/c1-11(17)4-6-13(19)21-9-15(3,8-16)10-22-14(20)7-5-12(2)18/h11-12,16-18H,4-10H2,1-3H3
InChIKeyTUHQAAOLRSJTRC-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.39
Rot. Bonds11

About [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate

[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate (PubChem CID 101287114) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate
PubChem CID101287114
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate
SMILESCC(O)CCC(=O)OCC(C)(CO)COC(=O)CCC(C)O
InChIInChI=1S/C15H28O7/c1-11(17)4-6-13(19)21-9-15(3,8-16)10-22-14(20)7-5-12(2)18/h11-12,16-18H,4-10H2,1-3H3
InChIKeyTUHQAAOLRSJTRC-UHFFFAOYSA-N
XLogP0.39
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[3-hydroxy-2-(5-hydroxyhexanoyloxymethyl)-2-methylpropyl] 5-hydroxyhexanoate
CID 101287119
[3-hydroxy-2-(7-hydroxyheptanoyloxymethyl)-2-methylpropyl] 7-hydroxyheptanoate
CID 101287126
[2-(hydroxymethyl)-3-(3-hydroxyoctanoyloxy)-2-methylpropyl] 3-hydroxyoctanoate
CID 101287128
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 23-hydroxytricosanoate
CID 101287111
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 18-hydroxyoctadecanoate
CID 101287106
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate
CID 6455786
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octanoate
CID 54006493
4-(4-hydroxypentanoyloxy)butanoic acid
CID 57030364
[2-(hydroxymethyl)-3-(2-hydroxyoctanoyloxy)-2-methylpropyl] 2-hydroxyoctanoate
CID 101287127
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 6-methylheptanoate
CID 22628743
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 82724624
2,2,2-trichloroethyl 4-methylpentanoate
CID 527273

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate?
The IUPAC name of [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate (CID 101287114) is [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate.
What is the SMILES notation for [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate?
The canonical SMILES for [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate is CC(O)CCC(=O)OCC(C)(CO)COC(=O)CCC(C)O.
What is the InChIKey of [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate?
The InChIKey is TUHQAAOLRSJTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-11(17)4-6-13(19)21-9-15(3,8-16)10-22-14(20)7-5-12(2)18/h11-12,16-18H,4-10H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate?
[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate has a molecular weight of 320.38 g/mol, XLogP of 0.39, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate is sourced from PubChem (CID 101287114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).