3-propan-2-yloxy-2-tetradecoxypropan-1-ol

C20H42O3 — CID 126584674

IUPAC3-propan-2-yloxy-2-tetradecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCOC(CO)COC(C)C
InChIInChI=1S/C20H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-20(17-21)18-23-19(2)3/h19-21H,4-18H2,1-3H3
InChIKeyOYHLVOYIGSZUDV-UHFFFAOYSA-N
MW330.55 g/mol
LogP5.49
Rot. Bonds18

About 3-propan-2-yloxy-2-tetradecoxypropan-1-ol

3-propan-2-yloxy-2-tetradecoxypropan-1-ol (PubChem CID 126584674) has the molecular formula C20H42O3 and a molecular weight of 330.55 g/mol. Its IUPAC name is 3-propan-2-yloxy-2-tetradecoxypropan-1-ol.

Molecular Properties

Compound Name3-propan-2-yloxy-2-tetradecoxypropan-1-ol
PubChem CID126584674
Molecular FormulaC20H42O3
Molecular Weight330.55 g/mol
Exact Mass330.31
IUPAC Name3-propan-2-yloxy-2-tetradecoxypropan-1-ol
SMILESCCCCCCCCCCCCCCOC(CO)COC(C)C
InChIInChI=1S/C20H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-20(17-21)18-23-19(2)3/h19-21H,4-18H2,1-3H3
InChIKeyOYHLVOYIGSZUDV-UHFFFAOYSA-N
XLogP5.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
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
2-hexadecoxypropane-1,3-diol
CID 12924931
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
3-(3-hydroxy-2-pentoxypropyl)peroxy-2-pentoxypropan-1-ol
CID 87368849
3-(2-heptoxy-3-hydroxypropoxy)propane-1,2-diol
CID 87374955
3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol
CID 54180430
2-dodecoxytridecan-1-ol
CID 23171962

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-2-tetradecoxypropan-1-ol?
The IUPAC name of 3-propan-2-yloxy-2-tetradecoxypropan-1-ol (CID 126584674) is 3-propan-2-yloxy-2-tetradecoxypropan-1-ol.
What is the SMILES notation for 3-propan-2-yloxy-2-tetradecoxypropan-1-ol?
The canonical SMILES for 3-propan-2-yloxy-2-tetradecoxypropan-1-ol is CCCCCCCCCCCCCCOC(CO)COC(C)C.
What is the InChIKey of 3-propan-2-yloxy-2-tetradecoxypropan-1-ol?
The InChIKey is OYHLVOYIGSZUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-20(17-21)18-23-19(2)3/h19-21H,4-18H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-2-tetradecoxypropan-1-ol?
3-propan-2-yloxy-2-tetradecoxypropan-1-ol has a molecular weight of 330.55 g/mol, XLogP of 5.49, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-2-tetradecoxypropan-1-ol is sourced from PubChem (CID 126584674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).