2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol

C22H38O2 — CID 10664475

IUPAC2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCO
InChIInChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRCOKDYWZGPZTNB-DOFZRALJSA-N
MW334.54 g/mol
LogP6.14
Rot. Bonds17

About 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol

2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol (PubChem CID 10664475) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol.

Molecular Properties

Compound Name2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol
PubChem CID10664475
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCO
InChIInChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRCOKDYWZGPZTNB-DOFZRALJSA-N
XLogP6.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol?
The IUPAC name of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol (CID 10664475) is 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol.
What is the SMILES notation for 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol?
The canonical SMILES for 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCCO.
What is the InChIKey of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol?
The InChIKey is RCOKDYWZGPZTNB-DOFZRALJSA-N. The full InChI is InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol?
2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol has a molecular weight of 334.54 g/mol, XLogP of 6.14, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]ethanol is sourced from PubChem (CID 10664475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).