3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol

C12H26O5 — CID 164930763

IUPAC3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
SMILESCCC(O)COCC(CO)COCC(O)CC
InChIInChI=1S/C12H26O5/c1-3-11(14)8-16-6-10(5-13)7-17-9-12(15)4-2/h10-15H,3-9H2,1-2H3
InChIKeyBZTVSPHWJVPTHG-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.17
Rot. Bonds11

About 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol

3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol (PubChem CID 164930763) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
PubChem CID164930763
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
SMILESCCC(O)COCC(CO)COCC(O)CC
InChIInChI=1S/C12H26O5/c1-3-11(14)8-16-6-10(5-13)7-17-9-12(15)4-2/h10-15H,3-9H2,1-2H3
InChIKeyBZTVSPHWJVPTHG-UHFFFAOYSA-N
XLogP0.17
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxy-2-iodopropoxy)butan-2-ol
CID 118303811
1-(2-propylhexoxy)butan-2-ol
CID 58918426
2-[[3-hydroxy-2-(hydroxymethyl)propoxy]methyl]propane-1,3-diol
CID 122377868
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
3-[2-[2-[(2R)-3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol
CID 134336101
(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
CID 11543074
1-(2-fluoroethoxy)butan-2-ol
CID 58952834
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol?
The IUPAC name of 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol (CID 164930763) is 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol.
What is the SMILES notation for 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol?
The canonical SMILES for 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol is CCC(O)COCC(CO)COCC(O)CC.
What is the InChIKey of 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol?
The InChIKey is BZTVSPHWJVPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5/c1-3-11(14)8-16-6-10(5-13)7-17-9-12(15)4-2/h10-15H,3-9H2,1-2H3.
What are the key properties of 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol?
3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol has a molecular weight of 250.33 g/mol, XLogP of 0.17, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol is sourced from PubChem (CID 164930763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).