2,2-bis(2-hydroxybutoxymethyl)butan-1-ol

C14H30O5 — CID 164930760

IUPAC2,2-bis(2-hydroxybutoxymethyl)butan-1-ol
SMILESCCC(O)COCC(CC)(CO)COCC(O)CC
InChIInChI=1S/C14H30O5/c1-4-12(16)7-18-10-14(6-3,9-15)11-19-8-13(17)5-2/h12-13,15-17H,4-11H2,1-3H3
InChIKeyZUVMCYXDMISPID-UHFFFAOYSA-N
MW278.39 g/mol
LogP0.95
Rot. Bonds12

About 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol

2,2-bis(2-hydroxybutoxymethyl)butan-1-ol (PubChem CID 164930760) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol.

Molecular Properties

Compound Name2,2-bis(2-hydroxybutoxymethyl)butan-1-ol
PubChem CID164930760
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name2,2-bis(2-hydroxybutoxymethyl)butan-1-ol
SMILESCCC(O)COCC(CC)(CO)COCC(O)CC
InChIInChI=1S/C14H30O5/c1-4-12(16)7-18-10-14(6-3,9-15)11-19-8-13(17)5-2/h12-13,15-17H,4-11H2,1-3H3
InChIKeyZUVMCYXDMISPID-UHFFFAOYSA-N
XLogP0.95
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-(2-hydroxybutoxy)propane-1,2-diol;3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxybutoxy)propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 159453764
2-[[2-[1,3-bis[2,2-bis(hydroxymethyl)butoxy]propan-2-yloxy]-3-[2-ethyl-2-(hydroxymethyl)butoxy]propoxy]methyl]-2-ethylpropane-1,3-diol
CID 135274617
1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
2-ethyl-2-(hydroxymethoxymethyl)propane-1,3-diol
CID 175057771
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol;1-[2-(2-hydroxytetradecoxymethyl)-2-(prop-2-enoxymethyl)butoxy]tetradecan-2-ol
CID 165048402
1-[2-(2,2-dimethylbutoxymethyl)-2-(2-hydroxybutoxymethyl)butoxy]butan-2-yl hydrogen carbonate
CID 166858964
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
CID 137404860
5-[2-hydroxy-3-[2-(hydroxymethyl)-2-[[2-hydroxy-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propoxy]methyl]butoxy]propyl]sulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 51002297

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol?
The IUPAC name of 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol (CID 164930760) is 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol.
What is the SMILES notation for 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol?
The canonical SMILES for 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol is CCC(O)COCC(CC)(CO)COCC(O)CC.
What is the InChIKey of 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol?
The InChIKey is ZUVMCYXDMISPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-4-12(16)7-18-10-14(6-3,9-15)11-19-8-13(17)5-2/h12-13,15-17H,4-11H2,1-3H3.
What are the key properties of 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol?
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 0.95, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-hydroxybutoxymethyl)butan-1-ol is sourced from PubChem (CID 164930760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).