9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol

C24H40O2 — CID 162877816

IUPAC9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol
SMILESCCCCCCCCCCCCC1CC1CCCC(O)C#CC#CCO
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-12-16-22-21-23(22)17-15-19-24(26)18-13-11-14-20-25/h22-26H,2-10,12,15-17,19-21H2,1H3
InChIKeyJOHTYJMIIFZAKY-UHFFFAOYSA-N
MW360.58 g/mol
LogP5.46
Rot. Bonds15

About 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol

9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol (PubChem CID 162877816) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol.

Molecular Properties

Compound Name9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol
PubChem CID162877816
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol
SMILESCCCCCCCCCCCCC1CC1CCCC(O)C#CC#CCO
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-12-16-22-21-23(22)17-15-19-24(26)18-13-11-14-20-25/h22-26H,2-10,12,15-17,19-21H2,1H3
InChIKeyJOHTYJMIIFZAKY-UHFFFAOYSA-N
XLogP5.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Strongylodiol D
CID 11417800
1-Cyclohexylundeca-2,4-diyne-1,6-diol
CID 122187220
2-Methyloctadeca-5,7-diyne-4,9-diol
CID 122187223
1-Cyclohexyl-8-methylnona-2,4-diyne-1,6-diol
CID 122187225
(3R)-16-methylicos-1-yn-3-ol
CID 10403044
(3R)-19-methylicos-1-yn-3-ol
CID 10470552
1-Cyclohexylpentadeca-2,4-diyne-1,6-diol
CID 122187222
6,10,14-Trimethylpentadecan-2-ol
CID 530418
(2r,6r,10r)-6,10,14-Trimethylpentadecan-2-ol
CID 11032943
2-[10-((1S,2R)-2-Hexyl-cyclopropyl)-dec-9-ynyloxy]-propane-1,3-diol
CID 44361116
(2s,6r,10r)-6,10,14-Trimethylpentadecan-2-ol
CID 14550228
(6R,15S)-15-methyltricosa-2,4-diyne-1,6-diol
CID 163063685

Frequently Asked Questions

What is the IUPAC name of 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol?
The IUPAC name of 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol (CID 162877816) is 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol.
What is the SMILES notation for 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol?
The canonical SMILES for 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol is CCCCCCCCCCCCC1CC1CCCC(O)C#CC#CCO.
What is the InChIKey of 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol?
The InChIKey is JOHTYJMIIFZAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-12-16-22-21-23(22)17-15-19-24(26)18-13-11-14-20-25/h22-26H,2-10,12,15-17,19-21H2,1H3.
What are the key properties of 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol?
9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol has a molecular weight of 360.58 g/mol, XLogP of 5.46, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-dodecylcyclopropyl)nona-2,4-diyne-1,6-diol is sourced from PubChem (CID 162877816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).