3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol

C14H30O6 — CID 10517899

IUPAC3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
SMILESCC(COCCCO)(COCCCO)COCCCO
InChIInChI=1S/C14H30O6/c1-14(11-18-8-2-5-15,12-19-9-3-6-16)13-20-10-4-7-17/h15-17H,2-13H2,1H3
InChIKeyUSWOIVIJNZVIME-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.19
Rot. Bonds15

About 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol

3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol (PubChem CID 10517899) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
PubChem CID10517899
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
SMILESCC(COCCCO)(COCCCO)COCCCO
InChIInChI=1S/C14H30O6/c1-14(11-18-8-2-5-15,12-19-9-3-6-16)13-20-10-4-7-17/h15-17H,2-13H2,1H3
InChIKeyUSWOIVIJNZVIME-UHFFFAOYSA-N
XLogP0.19
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
CID 4077517
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
CID 139572770
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[3-decoxy-2,2-bis(decoxymethyl)propoxy]propan-1-ol
CID 142743710
3-[2-(butoxymethyl)-2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol
CID 129234449
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol (CID 10517899) is 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol is CC(COCCCO)(COCCCO)COCCCO.
What is the InChIKey of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol?
The InChIKey is USWOIVIJNZVIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-14(11-18-8-2-5-15,12-19-9-3-6-16)13-20-10-4-7-17/h15-17H,2-13H2,1H3.
What are the key properties of 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol?
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 0.19, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol is sourced from PubChem (CID 10517899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).