2-docosan-10-yloxyethanol

C24H50O2 — CID 173141834

IUPAC2-docosan-10-yloxyethanol
SMILESCCCCCCCCCCCCC(CCCCCCCCC)OCCO
InChIInChI=1S/C24H50O2/c1-3-5-7-9-11-12-13-15-17-19-21-24(26-23-22-25)20-18-16-14-10-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKeyRURQKCNNGFLXOK-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.82
Rot. Bonds22

About 2-docosan-10-yloxyethanol

2-docosan-10-yloxyethanol (PubChem CID 173141834) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 2-docosan-10-yloxyethanol.

Molecular Properties

Compound Name2-docosan-10-yloxyethanol
PubChem CID173141834
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name2-docosan-10-yloxyethanol
SMILESCCCCCCCCCCCCC(CCCCCCCCC)OCCO
InChIInChI=1S/C24H50O2/c1-3-5-7-9-11-12-13-15-17-19-21-24(26-23-22-25)20-18-16-14-10-8-6-4-2/h24-25H,3-23H2,1-2H3
InChIKeyRURQKCNNGFLXOK-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'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
12-butoxyoctadecan-1-ol
CID 139752074
5-docosan-5-yloxypentan-1-ol
CID 139884775
2-(2-methylnonan-4-yloxy)ethanol
CID 142712556
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
2-tetradecoxydecan-1-ol
CID 155667265
2-dodecoxytridecan-1-ol
CID 23171962

Frequently Asked Questions

What is the IUPAC name of 2-docosan-10-yloxyethanol?
The IUPAC name of 2-docosan-10-yloxyethanol (CID 173141834) is 2-docosan-10-yloxyethanol.
What is the SMILES notation for 2-docosan-10-yloxyethanol?
The canonical SMILES for 2-docosan-10-yloxyethanol is CCCCCCCCCCCCC(CCCCCCCCC)OCCO.
What is the InChIKey of 2-docosan-10-yloxyethanol?
The InChIKey is RURQKCNNGFLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-3-5-7-9-11-12-13-15-17-19-21-24(26-23-22-25)20-18-16-14-10-8-6-4-2/h24-25H,3-23H2,1-2H3.
What are the key properties of 2-docosan-10-yloxyethanol?
2-docosan-10-yloxyethanol 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 2-docosan-10-yloxyethanol is sourced from PubChem (CID 173141834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).