20-cyclohexyloxy-2-ethoxyicosanal

C28H54O3 — CID 91126556

IUPAC20-cyclohexyloxy-2-ethoxyicosanal
SMILESCCOC(C=O)CCCCCCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C28H54O3/c1-2-30-28(26-29)24-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-25-31-27-22-19-17-20-23-27/h26-28H,2-25H2,1H3
InChIKeyUNXKJSHPSXWTHA-UHFFFAOYSA-N
MW438.74 g/mol
LogP8.57
Rot. Bonds23

About 20-cyclohexyloxy-2-ethoxyicosanal

20-cyclohexyloxy-2-ethoxyicosanal (PubChem CID 91126556) has the molecular formula C28H54O3 and a molecular weight of 438.74 g/mol. Its IUPAC name is 20-cyclohexyloxy-2-ethoxyicosanal.

Molecular Properties

Compound Name20-cyclohexyloxy-2-ethoxyicosanal
PubChem CID91126556
Molecular FormulaC28H54O3
Molecular Weight438.74 g/mol
Exact Mass438.41
IUPAC Name20-cyclohexyloxy-2-ethoxyicosanal
SMILESCCOC(C=O)CCCCCCCCCCCCCCCCCCOC1CCCCC1
InChIInChI=1S/C28H54O3/c1-2-30-28(26-29)24-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-25-31-27-22-19-17-20-23-27/h26-28H,2-25H2,1H3
InChIKeyUNXKJSHPSXWTHA-UHFFFAOYSA-N
XLogP8.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-cyclohexyloxy-2-ethyldodecanal
CID 91803189
2-chloro-18-cyclohexyloxyoctadecanal
CID 91596992
6-methylheptoxycyclohexane
CID 66984925
2-butylsilyl-16-cyclohexyloxyhexadecanal
CID 123420739
10-cyclohexyloxy-2-(dichloromethyl)decanal
CID 91249798
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
4-cyclohexyloxy-2-ethylbutanal
CID 91130467
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194
[7-cyclooctyloxy-2-(4-cyclooctyloxybutyl)heptoxy]cyclooctane
CID 173259998
6-cyclopentyloxyhexanal
CID 129416066
4-cyclohexyloxy-N-ethylbutan-1-amine
CID 62445750

Frequently Asked Questions

What is the IUPAC name of 20-cyclohexyloxy-2-ethoxyicosanal?
The IUPAC name of 20-cyclohexyloxy-2-ethoxyicosanal (CID 91126556) is 20-cyclohexyloxy-2-ethoxyicosanal.
What is the SMILES notation for 20-cyclohexyloxy-2-ethoxyicosanal?
The canonical SMILES for 20-cyclohexyloxy-2-ethoxyicosanal is CCOC(C=O)CCCCCCCCCCCCCCCCCCOC1CCCCC1.
What is the InChIKey of 20-cyclohexyloxy-2-ethoxyicosanal?
The InChIKey is UNXKJSHPSXWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3/c1-2-30-28(26-29)24-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-25-31-27-22-19-17-20-23-27/h26-28H,2-25H2,1H3.
What are the key properties of 20-cyclohexyloxy-2-ethoxyicosanal?
20-cyclohexyloxy-2-ethoxyicosanal has a molecular weight of 438.74 g/mol, XLogP of 8.57, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-cyclohexyloxy-2-ethoxyicosanal is sourced from PubChem (CID 91126556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).