2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol

C14H30O5 — CID 139980798

IUPAC2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol
SMILESCCCCC(O)(CO)COCC(O)(CO)CCCC
InChIInChI=1S/C14H30O5/c1-3-5-7-13(17,9-15)11-19-12-14(18,10-16)8-6-4-2/h15-18H,3-12H2,1-2H3
InChIKeyBHQZAKAIIJXMJF-UHFFFAOYSA-N
MW278.39 g/mol
LogP0.83
Rot. Bonds12

About 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol

2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol (PubChem CID 139980798) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol
PubChem CID139980798
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol
SMILESCCCCC(O)(CO)COCC(O)(CO)CCCC
InChIInChI=1S/C14H30O5/c1-3-5-7-13(17,9-15)11-19-12-14(18,10-16)8-6-4-2/h15-18H,3-12H2,1-2H3
InChIKeyBHQZAKAIIJXMJF-UHFFFAOYSA-N
XLogP0.83
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-hydroxy-2-(hydroxymethyl)icosoxy]methyl]icosane-1,2-diol
CID 87690691
2-[[2-hydroxy-2-(hydroxymethyl)icos-11-enoxy]methyl]icos-11-ene-1,2-diol
CID 139756180
2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
2-ethyltridecane-1,2-diol
CID 88923996
2-heptylhexane-1,2,6-triol
CID 22481106
2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol
CID 158026669
(2S)-2-(chloromethyl)hexadecane-1,2-diol
CID 13226351
(2S)-2-(chloromethyl)tridecane-1,2-diol
CID 11265568
9-(2-methoxyethoxymethyl)nonadecan-9-ol
CID 86033712
5-(phosphanylmethyl)nonan-5-ol
CID 140650139
11-decyldodecane-1,1,11,12-tetrol
CID 91079492

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol?
The IUPAC name of 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol (CID 139980798) is 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol.
What is the SMILES notation for 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol?
The canonical SMILES for 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol is CCCCC(O)(CO)COCC(O)(CO)CCCC.
What is the InChIKey of 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol?
The InChIKey is BHQZAKAIIJXMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-3-5-7-13(17,9-15)11-19-12-14(18,10-16)8-6-4-2/h15-18H,3-12H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol?
2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol has a molecular weight of 278.39 g/mol, XLogP of 0.83, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol is sourced from PubChem (CID 139980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).