1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol

C21H44O4 — CID 165348602

IUPAC1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
SMILESCCCCCCCCCCCCCCCCOCC(O)COCCO
InChIInChI=1S/C21H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21(23)20-25-18-16-22/h21-23H,2-20H2,1H3
InChIKeyXTEGAKWPBIPRHC-UHFFFAOYSA-N
MW360.58 g/mol
LogP4.85
Rot. Bonds21

About 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol

1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol (PubChem CID 165348602) has the molecular formula C21H44O4 and a molecular weight of 360.58 g/mol. Its IUPAC name is 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
PubChem CID165348602
Molecular FormulaC21H44O4
Molecular Weight360.58 g/mol
Exact Mass360.32
IUPAC Name1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
SMILESCCCCCCCCCCCCCCCCOCC(O)COCCO
InChIInChI=1S/C21H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21(23)20-25-18-16-22/h21-23H,2-20H2,1H3
InChIKeyXTEGAKWPBIPRHC-UHFFFAOYSA-N
XLogP4.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(2S)-1-octoxybutan-2-ol
CID 88988399
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
1-icosoxybutan-2-ol
CID 58176389
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491
2-dodecoxyethanol
CID 24750

Frequently Asked Questions

What is the IUPAC name of 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol?
The IUPAC name of 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol (CID 165348602) is 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol.
What is the SMILES notation for 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol?
The canonical SMILES for 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol is CCCCCCCCCCCCCCCCOCC(O)COCCO.
What is the InChIKey of 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol?
The InChIKey is XTEGAKWPBIPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21(23)20-25-18-16-22/h21-23H,2-20H2,1H3.
What are the key properties of 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol?
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol has a molecular weight of 360.58 g/mol, XLogP of 4.85, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol is sourced from PubChem (CID 165348602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).