3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane

C16H38O6 — CID 159117576

IUPAC3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane
SMILESC.CCC.OCCCOCC(COCCCO)OCCCO
InChIInChI=1S/C12H26O6.C3H8.CH4/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14;1-3-2;/h12-15H,1-11H2;3H2,1-2H3;1H4
InChIKeyKFGXOIZNXKPHOK-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.60
Rot. Bonds14

About 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane

3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane (PubChem CID 159117576) has the molecular formula C16H38O6 and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane.

Molecular Properties

Compound Name3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane
PubChem CID159117576
Molecular FormulaC16H38O6
Molecular Weight326.47 g/mol
Exact Mass326.27
IUPAC Name3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane
SMILESC.CCC.OCCCOCC(COCCCO)OCCCO
InChIInChI=1S/C12H26O6.C3H8.CH4/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14;1-3-2;/h12-15H,1-11H2;3H2,1-2H3;1H4
InChIKeyKFGXOIZNXKPHOK-UHFFFAOYSA-N
XLogP1.60
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.60
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

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CID 132520295
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CID 139785017
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
3-(2-methylhexoxy)propan-1-ol
CID 134975986
2-[2,3-bis(4-hydroxybutoxy)propoxy]ethyl hydrogen carbonate
CID 164775709
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CID 175432010

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane?
The IUPAC name of 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane (CID 159117576) is 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane.
What is the SMILES notation for 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane?
The canonical SMILES for 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane is C.CCC.OCCCOCC(COCCCO)OCCCO.
What is the InChIKey of 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane?
The InChIKey is KFGXOIZNXKPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6.C3H8.CH4/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14;1-3-2;/h12-15H,1-11H2;3H2,1-2H3;1H4.
What are the key properties of 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane?
3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane has a molecular weight of 326.47 g/mol, XLogP of 1.60, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;methane;propane is sourced from PubChem (CID 159117576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).