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

C18H38O5 — CID 54180430

IUPAC3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol
SMILESCCCCCCCCCCCCOC(CO)COCC(O)CO
InChIInChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18(14-20)16-22-15-17(21)13-19/h17-21H,2-16H2,1H3
InChIKeyPBJVGZCJKJOSJG-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.65
Rot. Bonds18

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

3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol (PubChem CID 54180430) has the molecular formula C18H38O5 and a molecular weight of 334.50 g/mol. Its IUPAC name is 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol
PubChem CID54180430
Molecular FormulaC18H38O5
Molecular Weight334.50 g/mol
Exact Mass334.27
IUPAC Name3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol
SMILESCCCCCCCCCCCCOC(CO)COCC(O)CO
InChIInChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18(14-20)16-22-15-17(21)13-19/h17-21H,2-16H2,1H3
InChIKeyPBJVGZCJKJOSJG-UHFFFAOYSA-N
XLogP2.65
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-heptoxy-3-hydroxypropoxy)propane-1,2-diol
CID 87374955
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
3-(1-hydroxy-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86103535
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
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876

Frequently Asked Questions

What is the IUPAC name of 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol?
The IUPAC name of 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol (CID 54180430) is 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol is CCCCCCCCCCCCOC(CO)COCC(O)CO.
What is the InChIKey of 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol?
The InChIKey is PBJVGZCJKJOSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18(14-20)16-22-15-17(21)13-19/h17-21H,2-16H2,1H3.
What are the key properties of 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol?
3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol has a molecular weight of 334.50 g/mol, XLogP of 2.65, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol is sourced from PubChem (CID 54180430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).