henicosan-2-ol

C21H44O — CID 14151023

IUPAChenicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCC(C)O
InChIInChI=1S/C21H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h21-22H,3-20H2,1-2H3
InChIKeyZWKMKPIPURRGEC-UHFFFAOYSA-N
MW312.58 g/mol
LogP7.41
Rot. Bonds18

About henicosan-2-ol

henicosan-2-ol (PubChem CID 14151023) has the molecular formula C21H44O and a molecular weight of 312.58 g/mol. Its IUPAC name is henicosan-2-ol.

Molecular Properties

Compound Namehenicosan-2-ol
PubChem CID14151023
Molecular FormulaC21H44O
Molecular Weight312.58 g/mol
Exact Mass312.34
IUPAC Namehenicosan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCC(C)O
InChIInChI=1S/C21H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h21-22H,3-20H2,1-2H3
InChIKeyZWKMKPIPURRGEC-UHFFFAOYSA-N
XLogP7.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.58
LogP ≤ 57.41
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

(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
sodium;hydride;nonan-2-ol
CID 174316439
sodium;dodecan-2-ol;hydride
CID 174187549
heptan-2-ol;hydroxylamine
CID 88625997
(2S)-heptan-2-ol;hydrochloride
CID 141119609
methanamine;octadecan-2-ol;hydrochloride
CID 173318083

Frequently Asked Questions

What is the IUPAC name of henicosan-2-ol?
The IUPAC name of henicosan-2-ol (CID 14151023) is henicosan-2-ol.
What is the SMILES notation for henicosan-2-ol?
The canonical SMILES for henicosan-2-ol is CCCCCCCCCCCCCCCCCCCC(C)O.
What is the InChIKey of henicosan-2-ol?
The InChIKey is ZWKMKPIPURRGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h21-22H,3-20H2,1-2H3.
What are the key properties of henicosan-2-ol?
henicosan-2-ol has a molecular weight of 312.58 g/mol, XLogP of 7.41, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicosan-2-ol is sourced from PubChem (CID 14151023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).