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

C19H38O5 — CID 134345194

IUPAC2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
SMILESCCC(CC)OC1C(CO)OC(C(CC)(CC)C(C)C)C(O)C1O
InChIInChI=1S/C19H38O5/c1-7-13(8-2)23-17-14(11-20)24-18(16(22)15(17)21)19(9-3,10-4)12(5)6/h12-18,20-22H,7-11H2,1-6H3
InChIKeyGPCAXYGBJKUVOG-UHFFFAOYSA-N
MW346.51 g/mol
LogP2.50
Rot. Bonds9

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

2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol (PubChem CID 134345194) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol.

Molecular Properties

Compound Name2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
PubChem CID134345194
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Name2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
SMILESCCC(CC)OC1C(CO)OC(C(CC)(CC)C(C)C)C(O)C1O
InChIInChI=1S/C19H38O5/c1-7-13(8-2)23-17-14(11-20)24-18(16(22)15(17)21)19(9-3,10-4)12(5)6/h12-18,20-22H,7-11H2,1-6H3
InChIKeyGPCAXYGBJKUVOG-UHFFFAOYSA-N
XLogP2.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 137470121
6-ethyl-2-(3-hydroxypentan-3-yl)-5-pentan-3-yloxyoxane-3,4-diol
CID 149285586
6-(hydroxymethyl)-2-(2-octoxypropan-2-yl)-5-propan-2-yloxyoxane-3,4-diol
CID 139397240
2-(hydroxymethyl)-3-pentan-3-yloxy-6-pentyloxan-4-ol
CID 123662386
6-(hydroxymethyl)-5-propan-2-yloxy-2-[2-(2,4,4-trimethylpentan-2-yloxy)propan-2-yl]oxane-3,4-diol
CID 123753294
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
(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
(2R,4R,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]oxy-5-[(2R,4R,5S)-5-[(2R,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-propan-2-yloxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 118580562
5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-propan-2-yloxyoxan-4-ol
CID 166948238
6-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxyoxane-3,4-diol
CID 166832148
(2S,4S,5S)-2-[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dihydroxy-6-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91421721
(2R,3S,4R,6S)-6-butan-2-yloxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102217415

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
The IUPAC name of 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol (CID 134345194) is 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol.
What is the SMILES notation for 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
The canonical SMILES for 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol is CCC(CC)OC1C(CO)OC(C(CC)(CC)C(C)C)C(O)C1O.
What is the InChIKey of 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
The InChIKey is GPCAXYGBJKUVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5/c1-7-13(8-2)23-17-14(11-20)24-18(16(22)15(17)21)19(9-3,10-4)12(5)6/h12-18,20-22H,7-11H2,1-6H3.
What are the key properties of 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol?
2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol has a molecular weight of 346.51 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methylpentan-3-yl)-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol is sourced from PubChem (CID 134345194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).