2-(1-hydroxypropoxy)propane-1,1-diol

C6H14O4 — CID 91224163

IUPAC2-(1-hydroxypropoxy)propane-1,1-diol
SMILESCCC(O)OC(C)C(O)O
InChIInChI=1S/C6H14O4/c1-3-5(7)10-4(2)6(8)9/h4-9H,3H2,1-2H3
InChIKeyDTMZQSMXWCZFNT-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.57
Rot. Bonds4

About 2-(1-hydroxypropoxy)propane-1,1-diol

2-(1-hydroxypropoxy)propane-1,1-diol (PubChem CID 91224163) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(1-hydroxypropoxy)propane-1,1-diol.

Molecular Properties

Compound Name2-(1-hydroxypropoxy)propane-1,1-diol
PubChem CID91224163
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-(1-hydroxypropoxy)propane-1,1-diol
SMILESCCC(O)OC(C)C(O)O
InChIInChI=1S/C6H14O4/c1-3-5(7)10-4(2)6(8)9/h4-9H,3H2,1-2H3
InChIKeyDTMZQSMXWCZFNT-UHFFFAOYSA-N
XLogP-0.57
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dihydroxypropan-2-yloxy)propane-1,1-diol
CID 20556668
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
CID 57483531
1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
CID 22833317
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
2-(3-hydroxy-1-pentan-3-yloxybutan-2-yl)oxypropane-1,1-diol
CID 138744605
1-propan-2-ylperoxypropan-1-ol
CID 175558686
1-(1-hydroxypropoxyperoxy)propan-1-ol
CID 87132582
1-methoxypropan-1-ol;hydrate
CID 141025991
1-methoxypropan-1-ol;silane
CID 174772111
1-octan-4-yloxypropan-1-ol
CID 141313550
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropoxy)propane-1,1-diol?
The IUPAC name of 2-(1-hydroxypropoxy)propane-1,1-diol (CID 91224163) is 2-(1-hydroxypropoxy)propane-1,1-diol.
What is the SMILES notation for 2-(1-hydroxypropoxy)propane-1,1-diol?
The canonical SMILES for 2-(1-hydroxypropoxy)propane-1,1-diol is CCC(O)OC(C)C(O)O.
What is the InChIKey of 2-(1-hydroxypropoxy)propane-1,1-diol?
The InChIKey is DTMZQSMXWCZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-3-5(7)10-4(2)6(8)9/h4-9H,3H2,1-2H3.
What are the key properties of 2-(1-hydroxypropoxy)propane-1,1-diol?
2-(1-hydroxypropoxy)propane-1,1-diol has a molecular weight of 150.17 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropoxy)propane-1,1-diol is sourced from PubChem (CID 91224163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).