22-butoxydocosan-2-ol

C26H54O2 — CID 88608244

IUPAC22-butoxydocosan-2-ol
SMILESCCCCOCCCCCCCCCCCCCCCCCCCCC(C)O
InChIInChI=1S/C26H54O2/c1-3-4-24-28-25-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-26(2)27/h26-27H,3-25H2,1-2H3
InChIKeyOVHHDUAEGWFURY-UHFFFAOYSA-N
MW398.72 g/mol
LogP8.60
Rot. Bonds24

About 22-butoxydocosan-2-ol

22-butoxydocosan-2-ol (PubChem CID 88608244) has the molecular formula C26H54O2 and a molecular weight of 398.72 g/mol. Its IUPAC name is 22-butoxydocosan-2-ol.

Molecular Properties

Compound Name22-butoxydocosan-2-ol
PubChem CID88608244
Molecular FormulaC26H54O2
Molecular Weight398.72 g/mol
Exact Mass398.41
IUPAC Name22-butoxydocosan-2-ol
SMILESCCCCOCCCCCCCCCCCCCCCCCCCCC(C)O
InChIInChI=1S/C26H54O2/c1-3-4-24-28-25-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-26(2)27/h26-27H,3-25H2,1-2H3
InChIKeyOVHHDUAEGWFURY-UHFFFAOYSA-N
XLogP8.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 129293593
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
butane-2,3-diol;1-butoxybutane
CID 87169993
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750

Frequently Asked Questions

What is the IUPAC name of 22-butoxydocosan-2-ol?
The IUPAC name of 22-butoxydocosan-2-ol (CID 88608244) is 22-butoxydocosan-2-ol.
What is the SMILES notation for 22-butoxydocosan-2-ol?
The canonical SMILES for 22-butoxydocosan-2-ol is CCCCOCCCCCCCCCCCCCCCCCCCCC(C)O.
What is the InChIKey of 22-butoxydocosan-2-ol?
The InChIKey is OVHHDUAEGWFURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O2/c1-3-4-24-28-25-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-26(2)27/h26-27H,3-25H2,1-2H3.
What are the key properties of 22-butoxydocosan-2-ol?
22-butoxydocosan-2-ol has a molecular weight of 398.72 g/mol, XLogP of 8.60, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-butoxydocosan-2-ol is sourced from PubChem (CID 88608244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).