18-ethylhenicosan-1-ol

C23H48O — CID 87097708

IUPAC18-ethylhenicosan-1-ol
SMILESCCCC(CC)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C23H48O/c1-3-20-23(4-2)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-24/h23-24H,3-22H2,1-2H3
InChIKeyXGINTGUIMPDHCE-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.05
Rot. Bonds20

About 18-ethylhenicosan-1-ol

18-ethylhenicosan-1-ol (PubChem CID 87097708) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 18-ethylhenicosan-1-ol.

Molecular Properties

Compound Name18-ethylhenicosan-1-ol
PubChem CID87097708
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name18-ethylhenicosan-1-ol
SMILESCCCC(CC)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C23H48O/c1-3-20-23(4-2)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-24/h23-24H,3-22H2,1-2H3
InChIKeyXGINTGUIMPDHCE-UHFFFAOYSA-N
XLogP8.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyloctan-1-ol
CID 22492547
(3S)-3-ethyloctane-1,8-diol
CID 118889766
10-ethyldodecan-1-ol
CID 18475243
(2S)-2-propylheptane-1,7-diol
CID 118890038
4-ethyltridecan-1-ol
CID 20550506
4-ethyldecan-1-ol
CID 91002231
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
3-octyldodecane-1,12-diol
CID 141481121
azane;3-ethylhenicosan-1-ol
CID 174815540
5-decylheptadecan-1-ol
CID 171774120

Frequently Asked Questions

What is the IUPAC name of 18-ethylhenicosan-1-ol?
The IUPAC name of 18-ethylhenicosan-1-ol (CID 87097708) is 18-ethylhenicosan-1-ol.
What is the SMILES notation for 18-ethylhenicosan-1-ol?
The canonical SMILES for 18-ethylhenicosan-1-ol is CCCC(CC)CCCCCCCCCCCCCCCCCO.
What is the InChIKey of 18-ethylhenicosan-1-ol?
The InChIKey is XGINTGUIMPDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-3-20-23(4-2)21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-24/h23-24H,3-22H2,1-2H3.
What are the key properties of 18-ethylhenicosan-1-ol?
18-ethylhenicosan-1-ol has a molecular weight of 340.64 g/mol, XLogP of 8.05, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-ethylhenicosan-1-ol is sourced from PubChem (CID 87097708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).