1-icosoxybutan-2-ol

C24H50O2 — CID 58176389

IUPAC1-icosoxybutan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCOCC(O)CC
InChIInChI=1S/C24H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-24(25)4-2/h24-25H,3-23H2,1-2H3
InChIKeyMJCPIYZUKPIOHN-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.82
Rot. Bonds22

About 1-icosoxybutan-2-ol

1-icosoxybutan-2-ol (PubChem CID 58176389) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 1-icosoxybutan-2-ol.

Molecular Properties

Compound Name1-icosoxybutan-2-ol
PubChem CID58176389
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name1-icosoxybutan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCOCC(O)CC
InChIInChI=1S/C24H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-24(25)4-2/h24-25H,3-23H2,1-2H3
InChIKeyMJCPIYZUKPIOHN-UHFFFAOYSA-N
XLogP7.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-icosoxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-octoxybutan-2-ol
CID 88988399
(2R)-1-butoxybutan-2-ol
CID 27255938
1-fluoro-3-tridecoxypropan-2-ol
CID 139708468
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2R)-1-fluoro-3-pentoxypropan-2-ol
CID 55250339
1-octadecoxyicosan-2-ol
CID 88758338
1-octoxydecan-2-ol
CID 57119039
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
1,4-dioctoxybutan-2-ol
CID 91047029
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
1-amino-3-heptoxypropan-2-ol
CID 43128013

Frequently Asked Questions

What is the IUPAC name of 1-icosoxybutan-2-ol?
The IUPAC name of 1-icosoxybutan-2-ol (CID 58176389) is 1-icosoxybutan-2-ol.
What is the SMILES notation for 1-icosoxybutan-2-ol?
The canonical SMILES for 1-icosoxybutan-2-ol is CCCCCCCCCCCCCCCCCCCCOCC(O)CC.
What is the InChIKey of 1-icosoxybutan-2-ol?
The InChIKey is MJCPIYZUKPIOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23-24(25)4-2/h24-25H,3-23H2,1-2H3.
What are the key properties of 1-icosoxybutan-2-ol?
1-icosoxybutan-2-ol has a molecular weight of 370.66 g/mol, XLogP of 7.82, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosoxybutan-2-ol is sourced from PubChem (CID 58176389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).