3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol

C10H20O5 — CID 22975897

IUPAC3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol
SMILESCCC1(CO)COCC(CO)(CO)C1O
InChIInChI=1S/C10H20O5/c1-2-9(3-11)6-15-7-10(4-12,5-13)8(9)14/h8,11-14H,2-7H2,1H3
InChIKeyJCAWCSZXDPTNLK-UHFFFAOYSA-N
MW220.26 g/mol
LogP-1.26
Rot. Bonds4

About 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol

3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol (PubChem CID 22975897) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol
PubChem CID22975897
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol
SMILESCCC1(CO)COCC(CO)(CO)C1O
InChIInChI=1S/C10H20O5/c1-2-9(3-11)6-15-7-10(4-12,5-13)8(9)14/h8,11-14H,2-7H2,1H3
InChIKeyJCAWCSZXDPTNLK-UHFFFAOYSA-N
XLogP-1.26
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Anhydroenneaheptitol
CID 78481
[3-(Methoxymethyl)oxan-3-yl]methanol
CID 105794728
3-Ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 75456970
2,6-Dimethyltetrahydropyran-3-carbinol
CID 129888438
[(2R,3R)-2-methyloxan-3-yl]methanol
CID 12815299
2-(1-Butan-2-yloxy-2-methylbutyl)-2-(hydroxymethyl)propane-1,3-diol
CID 17850051
2-[2,2-Dimethyl-1-(2-methylbutan-2-yloxy)butyl]-2-(hydroxymethyl)propane-1,3-diol
CID 17850111
3,3,5-Tris(hydroxymethyl)-5-methyloxan-4-ol
CID 18689537
2-(Hydroxymethyl)-2-(1-propoxybutyl)propane-1,3-diol
CID 20360878
Actinium;2,3,3,5,5,6-hexamethyloxan-4-ol
CID 20705969
2-Ethyl-4,4-bis(hydroxymethyl)-2-methylpentane-1,3,5-triol
CID 22975896
1-(Oxan-4-yl)propan-2-ol
CID 56828815

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol?
The IUPAC name of 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol (CID 22975897) is 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol is CCC1(CO)COCC(CO)(CO)C1O.
What is the InChIKey of 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol?
The InChIKey is JCAWCSZXDPTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-2-9(3-11)6-15-7-10(4-12,5-13)8(9)14/h8,11-14H,2-7H2,1H3.
What are the key properties of 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol?
3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol has a molecular weight of 220.26 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 22975897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).