(4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol

C24H38O2 — CID 71745714

IUPAC(4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol
SMILESC#CC(O)/C=C/CCCCCCCCCCCCCC/C=C/C(O)C#C
InChIInChI=1S/C24H38O2/c1-3-23(25)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(26)4-2/h1-2,19-26H,5-18H2/b21-19+,22-20+
InChIKeyKJWNXSBXDZJMLB-FLFKKZLDSA-N
MW358.57 g/mol
LogP5.55
Rot. Bonds17

About (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol

(4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol (PubChem CID 71745714) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol.

Molecular Properties

Compound Name(4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol
PubChem CID71745714
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name(4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol
SMILESC#CC(O)/C=C/CCCCCCCCCCCCCC/C=C/C(O)C#C
InChIInChI=1S/C24H38O2/c1-3-23(25)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(26)4-2/h1-2,19-26H,5-18H2/b21-19+,22-20+
InChIKeyKJWNXSBXDZJMLB-FLFKKZLDSA-N
XLogP5.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol?
The IUPAC name of (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol (CID 71745714) is (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol.
What is the SMILES notation for (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol?
The canonical SMILES for (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol is C#CC(O)/C=C/CCCCCCCCCCCCCC/C=C/C(O)C#C.
What is the InChIKey of (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol?
The InChIKey is KJWNXSBXDZJMLB-FLFKKZLDSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-23(25)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24(26)4-2/h1-2,19-26H,5-18H2/b21-19+,22-20+.
What are the key properties of (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol?
(4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol has a molecular weight of 358.57 g/mol, XLogP of 5.55, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,20E)-tetracosa-4,20-dien-1,23-diyne-3,22-diol is sourced from PubChem (CID 71745714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).