2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate

C24H40O3 — CID 10022435

IUPAC2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)OCCO
InChIInChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyWJKSCUWBYPTSMN-GKFVBPDJSA-N
MW376.58 g/mol
LogP6.30
Rot. Bonds16

About 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate

2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate (PubChem CID 10022435) has the molecular formula C24H40O3 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Name2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate
PubChem CID10022435
Molecular FormulaC24H40O3
Molecular Weight376.58 g/mol
Exact Mass376.30
IUPAC Name2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)OCCO
InChIInChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
InChIKeyWJKSCUWBYPTSMN-GKFVBPDJSA-N
XLogP6.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate?
The IUPAC name of 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate (CID 10022435) is 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate.
What is the SMILES notation for 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate?
The canonical SMILES for 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate?
The InChIKey is WJKSCUWBYPTSMN-GKFVBPDJSA-N. The full InChI is InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate?
2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate has a molecular weight of 376.58 g/mol, XLogP of 6.30, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (5Z,8Z,11Z,14Z)-2,2-dimethylicosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 10022435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).