3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol

C11H24O6 — CID 87545299

IUPAC3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
SMILESCC(OCCCO)(OCCCO)OCCCO
InChIInChI=1S/C11H24O6/c1-11(15-8-2-5-12,16-9-3-6-13)17-10-4-7-14/h12-14H,2-10H2,1H3
InChIKeyOGJAGDHJMUOWHY-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.14
Rot. Bonds12

About 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol

3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol (PubChem CID 87545299) has the molecular formula C11H24O6 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol.

Molecular Properties

Compound Name3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
PubChem CID87545299
Molecular FormulaC11H24O6
Molecular Weight252.31 g/mol
Exact Mass252.16
IUPAC Name3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
SMILESCC(OCCCO)(OCCCO)OCCCO
InChIInChI=1S/C11H24O6/c1-11(15-8-2-5-12,16-9-3-6-13)17-10-4-7-14/h12-14H,2-10H2,1H3
InChIKeyOGJAGDHJMUOWHY-UHFFFAOYSA-N
XLogP-0.14
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
CID 4077517
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
1-(1,1-dipropoxyethoxy)propane
CID 21433420
3-[2-(butoxymethyl)-2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol
CID 129234449
2-(3-hydroxypropoxy)-2,3-dimethylpentanoic acid
CID 103377985
3-(1-amino-2-cyclopropylbutan-2-yl)oxypropan-1-ol
CID 103377473
3-(1-amino-2-methylnonan-2-yl)oxypropan-1-ol
CID 103377362
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
6,6,6-trifluoro-2-(3-hydroxypropoxy)-2-methylhexanenitrile
CID 103376454
2,2-dibutoxypropan-1-ol
CID 145497919
2-cyclohexyl-2-(3-hydroxypropoxy)propanenitrile
CID 103376423

Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol?
The IUPAC name of 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol (CID 87545299) is 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol.
What is the SMILES notation for 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol?
The canonical SMILES for 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol is CC(OCCCO)(OCCCO)OCCCO.
What is the InChIKey of 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol?
The InChIKey is OGJAGDHJMUOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6/c1-11(15-8-2-5-12,16-9-3-6-13)17-10-4-7-14/h12-14H,2-10H2,1H3.
What are the key properties of 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol?
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol has a molecular weight of 252.31 g/mol, XLogP of -0.14, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol is sourced from PubChem (CID 87545299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).