3-(2-hydroxypropoxy)propane-1,1-diol

C6H14O4 — CID 88599165

IUPAC3-(2-hydroxypropoxy)propane-1,1-diol
SMILESCC(O)COCCC(O)O
InChIInChI=1S/C6H14O4/c1-5(7)4-10-3-2-6(8)9/h5-9H,2-4H2,1H3
InChIKeyKPRDEDPOAMDIHN-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.92
Rot. Bonds5

About 3-(2-hydroxypropoxy)propane-1,1-diol

3-(2-hydroxypropoxy)propane-1,1-diol (PubChem CID 88599165) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(2-hydroxypropoxy)propane-1,1-diol.

Molecular Properties

Compound Name3-(2-hydroxypropoxy)propane-1,1-diol
PubChem CID88599165
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-(2-hydroxypropoxy)propane-1,1-diol
SMILESCC(O)COCCC(O)O
InChIInChI=1S/C6H14O4/c1-5(7)4-10-3-2-6(8)9/h5-9H,2-4H2,1H3
InChIKeyKPRDEDPOAMDIHN-UHFFFAOYSA-N
XLogP-0.92
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
(2S)-1-butoxypropan-2-ol
CID 54289557
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
1-(2-trimethylsilylethoxy)propan-2-ol
CID 57045304
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
1-(3-cyclohexylbutoxy)propan-2-ol
CID 67633450
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633
bis[2-(2-hydroxypropoxy)ethyl] carbonate
CID 141093104

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropoxy)propane-1,1-diol?
The IUPAC name of 3-(2-hydroxypropoxy)propane-1,1-diol (CID 88599165) is 3-(2-hydroxypropoxy)propane-1,1-diol.
What is the SMILES notation for 3-(2-hydroxypropoxy)propane-1,1-diol?
The canonical SMILES for 3-(2-hydroxypropoxy)propane-1,1-diol is CC(O)COCCC(O)O.
What is the InChIKey of 3-(2-hydroxypropoxy)propane-1,1-diol?
The InChIKey is KPRDEDPOAMDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-5(7)4-10-3-2-6(8)9/h5-9H,2-4H2,1H3.
What are the key properties of 3-(2-hydroxypropoxy)propane-1,1-diol?
3-(2-hydroxypropoxy)propane-1,1-diol has a molecular weight of 150.17 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropoxy)propane-1,1-diol is sourced from PubChem (CID 88599165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).