icosan-1-ol;hydrochloride

C20H43ClO — CID 139975330

IUPACicosan-1-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCO.Cl
InChIInChI=1S/C20H42O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h21H,2-20H2,1H3;1H
InChIKeyWFYFTGBVRJOARE-UHFFFAOYSA-N
MW335.02 g/mol
LogP7.44
Rot. Bonds18

About icosan-1-ol;hydrochloride

icosan-1-ol;hydrochloride (PubChem CID 139975330) has the molecular formula C20H43ClO and a molecular weight of 335.02 g/mol. Its IUPAC name is icosan-1-ol;hydrochloride.

Molecular Properties

Compound Nameicosan-1-ol;hydrochloride
PubChem CID139975330
Molecular FormulaC20H43ClO
Molecular Weight335.02 g/mol
Exact Mass334.30
IUPAC Nameicosan-1-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCO.Cl
InChIInChI=1S/C20H42O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h21H,2-20H2,1H3;1H
InChIKeyWFYFTGBVRJOARE-UHFFFAOYSA-N
XLogP7.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 57.44
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

octan-1-ol;dihydrochloride
CID 18442293
hexan-1-ol;hydrate;hydrochloride
CID 86720799
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
heptan-1-ol;nonan-1-ol
CID 160785033

Frequently Asked Questions

What is the IUPAC name of icosan-1-ol;hydrochloride?
The IUPAC name of icosan-1-ol;hydrochloride (CID 139975330) is icosan-1-ol;hydrochloride.
What is the SMILES notation for icosan-1-ol;hydrochloride?
The canonical SMILES for icosan-1-ol;hydrochloride is CCCCCCCCCCCCCCCCCCCCO.Cl.
What is the InChIKey of icosan-1-ol;hydrochloride?
The InChIKey is WFYFTGBVRJOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;/h21H,2-20H2,1H3;1H.
What are the key properties of icosan-1-ol;hydrochloride?
icosan-1-ol;hydrochloride has a molecular weight of 335.02 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosan-1-ol;hydrochloride is sourced from PubChem (CID 139975330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).