icosa-6,15-diyn-5-ol

C20H34O — CID 18710567

IUPACicosa-6,15-diyn-5-ol
SMILESCCCCC#CCCCCCCCC#CC(O)CCCC
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h20-21H,3-7,10-16,18H2,1-2H3
InChIKeyYXCMDMCGBWVDHE-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.47
Rot. Bonds11

About icosa-6,15-diyn-5-ol

icosa-6,15-diyn-5-ol (PubChem CID 18710567) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is icosa-6,15-diyn-5-ol.

Molecular Properties

Compound Nameicosa-6,15-diyn-5-ol
PubChem CID18710567
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Nameicosa-6,15-diyn-5-ol
SMILESCCCCC#CCCCCCCCC#CC(O)CCCC
InChIInChI=1S/C20H34O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h20-21H,3-7,10-16,18H2,1-2H3
InChIKeyYXCMDMCGBWVDHE-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
16-hydroxyicosa-5,14-diyne-1-sulfonic acid
CID 87979554
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
ethyl (17R)-17-hydroxyhenicos-15-ynoate
CID 87948046
ethyl 16-hydroxyicos-14-ynoate
CID 86215717
hexadec-13-en-5-yn-7-ol
CID 71428203
non-3-yne-1,2-diol
CID 72760493
(6S)-6-hydroxydec-4-ynoic acid
CID 162981215
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029

Frequently Asked Questions

What is the IUPAC name of icosa-6,15-diyn-5-ol?
The IUPAC name of icosa-6,15-diyn-5-ol (CID 18710567) is icosa-6,15-diyn-5-ol.
What is the SMILES notation for icosa-6,15-diyn-5-ol?
The canonical SMILES for icosa-6,15-diyn-5-ol is CCCCC#CCCCCCCCC#CC(O)CCCC.
What is the InChIKey of icosa-6,15-diyn-5-ol?
The InChIKey is YXCMDMCGBWVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-20(21)18-6-4-2/h20-21H,3-7,10-16,18H2,1-2H3.
What are the key properties of icosa-6,15-diyn-5-ol?
icosa-6,15-diyn-5-ol has a molecular weight of 290.49 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-6,15-diyn-5-ol is sourced from PubChem (CID 18710567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).