6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol

C17H34O5 — CID 149285586

IUPAC6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol
SMILESCCC(CC)OC1C(CC)OC(C(O)(CC)CC)C(O)C1O
InChIInChI=1S/C17H34O5/c1-6-11(7-2)21-15-12(8-3)22-16(14(19)13(15)18)17(20,9-4)10-5/h11-16,18-20H,6-10H2,1-5H3
InChIKeyXTUZYGGPUWITKN-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.01
Rot. Bonds8

About 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol

6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol (PubChem CID 149285586) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol
PubChem CID149285586
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol
SMILESCCC(CC)OC1C(CC)OC(C(O)(CC)CC)C(O)C1O
InChIInChI=1S/C17H34O5/c1-6-11(7-2)21-15-12(8-3)22-16(14(19)13(15)18)17(20,9-4)10-5/h11-16,18-20H,6-10H2,1-5H3
InChIKeyXTUZYGGPUWITKN-UHFFFAOYSA-N
XLogP2.01
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol with MolForge

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Related Compounds

2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 134345194
(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 137470121
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)oxane-3,4,5-triol
CID 101088444
(2S,6R)-3-[(2R)-2-hydroxy-2-methoxy-1-[(3S)-1-methoxy-3-pentan-3-yloxybutan-2-yl]oxyethoxy]-2-(hydroxymethyl)-6-(3-hydroxypentan-3-yl)-5-methoxyoxan-4-ol
CID 126626190
2-[[4,5-dihydroxy-3-(3-hydroxypentan-3-yl)-6-pentan-3-yloxyoxan-2-yl]methoxy]acetic acid
CID 123262633
5-ethyl-4-methoxyoxolane-2,3-diol
CID 74429889
(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol
CID 126764279
(3S,4R,5R,6S)-2-tert-butyl-6-ethyloxane-3,4,5-triol
CID 70862657
(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112
2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
2-(hydroxymethyl)-3-pentan-3-yloxy-6-pentyloxan-4-ol
CID 123662386
6-(hydroxymethyl)-2-(2-octoxypropan-2-yl)-5-propan-2-yloxyoxane-3,4-diol
CID 139397240

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol?
The IUPAC name of 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol (CID 149285586) is 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol.
What is the SMILES notation for 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol?
The canonical SMILES for 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol is CCC(CC)OC1C(CC)OC(C(O)(CC)CC)C(O)C1O.
What is the InChIKey of 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol?
The InChIKey is XTUZYGGPUWITKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O5/c1-6-11(7-2)21-15-12(8-3)22-16(14(19)13(15)18)17(20,9-4)10-5/h11-16,18-20H,6-10H2,1-5H3.
What are the key properties of 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol?
6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol has a molecular weight of 318.45 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol is sourced from PubChem (CID 149285586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).