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

C24H40O — CID 10759917

IUPAC[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC1CC1
InChIInChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyJAUXZPBWXNXKFB-DOFZRALJSA-N
MW344.58 g/mol
LogP7.56
Rot. Bonds17

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

[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane (PubChem CID 10759917) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane.

Molecular Properties

Compound Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane
PubChem CID10759917
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC1CC1
InChIInChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyJAUXZPBWXNXKFB-DOFZRALJSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane?
The IUPAC name of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane (CID 10759917) is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane.
What is the SMILES notation for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane?
The canonical SMILES for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOCC1CC1.
What is the InChIKey of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane?
The InChIKey is JAUXZPBWXNXKFB-DOFZRALJSA-N. The full InChI is InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane?
[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane has a molecular weight of 344.58 g/mol, XLogP of 7.56, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]methylcyclopropane is sourced from PubChem (CID 10759917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).