octacosan-10-ol

C28H58O — CID 22568705

IUPACoctacosan-10-ol
SMILESCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC
InChIInChI=1S/C28H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-28(29)26-24-22-20-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKeyPAVNGDOBOKDYAG-UHFFFAOYSA-N
MW410.77 g/mol
LogP10.14
Rot. Bonds25

About octacosan-10-ol

octacosan-10-ol (PubChem CID 22568705) has the molecular formula C28H58O and a molecular weight of 410.77 g/mol. Its IUPAC name is octacosan-10-ol.

Molecular Properties

Compound Nameoctacosan-10-ol
PubChem CID22568705
Molecular FormulaC28H58O
Molecular Weight410.77 g/mol
Exact Mass410.45
IUPAC Nameoctacosan-10-ol
SMILESCCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC
InChIInChI=1S/C28H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-28(29)26-24-22-20-10-8-6-4-2/h28-29H,3-27H2,1-2H3
InChIKeyPAVNGDOBOKDYAG-UHFFFAOYSA-N
XLogP10.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.77
LogP ≤ 510.14
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

nonacosane-7,20-diol
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(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
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tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of octacosan-10-ol?
The IUPAC name of octacosan-10-ol (CID 22568705) is octacosan-10-ol.
What is the SMILES notation for octacosan-10-ol?
The canonical SMILES for octacosan-10-ol is CCCCCCCCCCCCCCCCCCC(O)CCCCCCCCC.
What is the InChIKey of octacosan-10-ol?
The InChIKey is PAVNGDOBOKDYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-28(29)26-24-22-20-10-8-6-4-2/h28-29H,3-27H2,1-2H3.
What are the key properties of octacosan-10-ol?
octacosan-10-ol has a molecular weight of 410.77 g/mol, XLogP of 10.14, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octacosan-10-ol is sourced from PubChem (CID 22568705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).