2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol

C10H22O5 — CID 22975896

IUPAC2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol
SMILESCCC(C)(CO)C(O)C(CO)(CO)CO
InChIInChI=1S/C10H22O5/c1-3-9(2,4-11)8(15)10(5-12,6-13)7-14/h8,11-15H,3-7H2,1-2H3
InChIKeyBLYQFYALRZMYDT-UHFFFAOYSA-N
MW222.28 g/mol
LogP-1.28
Rot. Bonds7

About 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol

2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol (PubChem CID 22975896) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol.

Molecular Properties

Compound Name2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol
PubChem CID22975896
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol
SMILESCCC(C)(CO)C(O)C(CO)(CO)CO
InChIInChI=1S/C10H22O5/c1-3-9(2,4-11)8(15)10(5-12,6-13)7-14/h8,11-15H,3-7H2,1-2H3
InChIKeyBLYQFYALRZMYDT-UHFFFAOYSA-N
XLogP-1.28
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol?
The IUPAC name of 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol (CID 22975896) is 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol.
What is the SMILES notation for 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol?
The canonical SMILES for 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol is CCC(C)(CO)C(O)C(CO)(CO)CO.
What is the InChIKey of 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol?
The InChIKey is BLYQFYALRZMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-3-9(2,4-11)8(15)10(5-12,6-13)7-14/h8,11-15H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol?
2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol has a molecular weight of 222.28 g/mol, XLogP of -1.28, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol is sourced from PubChem (CID 22975896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).