tricos-20-en-3,5,10,12,22-pentayne-1,2-diol

C23H26O2 — CID 74051672

IUPACtricos-20-en-3,5,10,12,22-pentayne-1,2-diol
SMILESC#CC=CCCCCCCC#CC#CCCCC#CC#CC(O)CO
InChIInChI=1S/C23H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h1,3-4,23-25H,5-10,15-17,22H2
InChIKeyCXKNSXTVPUUYQM-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.05
Rot. Bonds9

About tricos-20-en-3,5,10,12,22-pentayne-1,2-diol

tricos-20-en-3,5,10,12,22-pentayne-1,2-diol (PubChem CID 74051672) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tricos-20-en-3,5,10,12,22-pentayne-1,2-diol.

Molecular Properties

Compound Nametricos-20-en-3,5,10,12,22-pentayne-1,2-diol
PubChem CID74051672
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Nametricos-20-en-3,5,10,12,22-pentayne-1,2-diol
SMILESC#CC=CCCCCCCC#CC#CCCCC#CC#CC(O)CO
InChIInChI=1S/C23H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h1,3-4,23-25H,5-10,15-17,22H2
InChIKeyCXKNSXTVPUUYQM-UHFFFAOYSA-N
XLogP3.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.05
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

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(2R)-trideca-3,5,10,12-tetrayne-1,2-diol
CID 11194987
(2S)-16-bromohexadec-15-en-3,5,11,13-tetrayne-1,2-diol
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(2R,7Z,15E)-16-bromohexadeca-7,15-dien-3,5-diyne-1,2-diol
CID 51051055
pentatriaconta-17,31-dien-2,4,19,34-tetrayne-1,6,33-triol
CID 163107012
(3S,4E,14S)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
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(3E,13E)-hexadeca-3,13-dien-1,15-diyne
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tetratriacont-30-en-2,4,19,33-tetrayne-1,6,32-triol
CID 162856329
(3S,4E,14S,17E,21Z,27Z,43Z)-hexatetraconta-4,17,21,27,43-pentaen-1,12,15,45-tetrayne-3,14-diol
CID 10055069
(3Z,9Z)-dodeca-3,9-dien-1,11-diyne
CID 11693943
(3R,4E,14R,20E,27Z,43Z)-hexatetraconta-4,20,27,43-tetraen-1,12,15,45-tetrayne-3,14,22-triol
CID 10556398

Frequently Asked Questions

What is the IUPAC name of tricos-20-en-3,5,10,12,22-pentayne-1,2-diol?
The IUPAC name of tricos-20-en-3,5,10,12,22-pentayne-1,2-diol (CID 74051672) is tricos-20-en-3,5,10,12,22-pentayne-1,2-diol.
What is the SMILES notation for tricos-20-en-3,5,10,12,22-pentayne-1,2-diol?
The canonical SMILES for tricos-20-en-3,5,10,12,22-pentayne-1,2-diol is C#CC=CCCCCCCC#CC#CCCCC#CC#CC(O)CO.
What is the InChIKey of tricos-20-en-3,5,10,12,22-pentayne-1,2-diol?
The InChIKey is CXKNSXTVPUUYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h1,3-4,23-25H,5-10,15-17,22H2.
What are the key properties of tricos-20-en-3,5,10,12,22-pentayne-1,2-diol?
tricos-20-en-3,5,10,12,22-pentayne-1,2-diol has a molecular weight of 334.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricos-20-en-3,5,10,12,22-pentayne-1,2-diol is sourced from PubChem (CID 74051672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).