(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate

C20H29O2- — CID 21145301

IUPAC(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
SMILESCCCCCCCCC/C=C\C=C/C=C/C=C\C=C\C(=O)[O-]
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-19H,2-9H2,1H3,(H,21,22)/p-1/b11-10-,13-12-,15-14+,17-16-,19-18+
InChIKeySBHCLVQMTBWHCD-XABISJOISA-M
MW301.45 g/mol
LogP4.66
Rot. Bonds13

About (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate

(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate (PubChem CID 21145301) has the molecular formula C20H29O2- and a molecular weight of 301.45 g/mol. Its IUPAC name is (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate.

Molecular Properties

Compound Name(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
PubChem CID21145301
Molecular FormulaC20H29O2-
Molecular Weight301.45 g/mol
Exact Mass301.22
IUPAC Name(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
SMILESCCCCCCCCC/C=C\C=C/C=C/C=C\C=C\C(=O)[O-]
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-19H,2-9H2,1H3,(H,21,22)/p-1/b11-10-,13-12-,15-14+,17-16-,19-18+
InChIKeySBHCLVQMTBWHCD-XABISJOISA-M
XLogP4.66
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate with MolForge

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Related Compounds

sodium icosa-2,4,6,8-tetraenoate
CID 165168536
lithium docosa-2,4,6,8,10,12-hexaenoate
CID 74087716
silver icosa-2,4,6,8,10-pentaenoate
CID 173148678
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739
potassium (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
CID 23712824
silver docosa-2,4,6,8,10,12-hexaenoate
CID 173148941
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
pentadeca-3,5,7-trien-2-one
CID 91106763
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate?
The IUPAC name of (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate (CID 21145301) is (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate.
What is the SMILES notation for (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate?
The canonical SMILES for (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate is CCCCCCCCC/C=C\C=C/C=C/C=C\C=C\C(=O)[O-].
What is the InChIKey of (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate?
The InChIKey is SBHCLVQMTBWHCD-XABISJOISA-M. The full InChI is InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h10-19H,2-9H2,1H3,(H,21,22)/p-1/b11-10-,13-12-,15-14+,17-16-,19-18+.
What are the key properties of (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate?
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate has a molecular weight of 301.45 g/mol, XLogP of 4.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate is sourced from PubChem (CID 21145301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).