sodium hexa-3,5-dienoate

C6H7NaO2 — CID 74086378

IUPACsodium hexa-3,5-dienoate
SMILESC=CC=CCC(=O)[O-].[Na+]
InChIInChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-4H,1,5H2,(H,7,8);/q;+1/p-1
InChIKeyFSCRLFKEDPBAKM-UHFFFAOYSA-M
MW134.11 g/mol
LogP-3.13
Rot. Bonds3

About sodium hexa-3,5-dienoate

sodium hexa-3,5-dienoate (PubChem CID 74086378) has the molecular formula C6H7NaO2 and a molecular weight of 134.11 g/mol. Its IUPAC name is sodium hexa-3,5-dienoate.

Molecular Properties

Compound Namesodium hexa-3,5-dienoate
PubChem CID74086378
Molecular FormulaC6H7NaO2
Molecular Weight134.11 g/mol
Exact Mass134.03
IUPAC Namesodium hexa-3,5-dienoate
SMILESC=CC=CCC(=O)[O-].[Na+]
InChIInChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-4H,1,5H2,(H,7,8);/q;+1/p-1
InChIKeyFSCRLFKEDPBAKM-UHFFFAOYSA-M
XLogP-3.13
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium (3E,5E)-hepta-3,5-dienoate
CID 102011094
sodium nona-6,8-dienoate
CID 161139818
azanium but-3-enoate
CID 87111540
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
prop-2-enyl (3E)-hexa-3,5-dienoate
CID 12943289
butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116
(E)-6-oxohept-3-enedioate
CID 22057616
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
CID 5312395
(3Z,5Z,7Z,9Z)-dodeca-3,5,7,9,11-pentaenoic acid
CID 131839742
ethyl hexa-3,5-dienoate
CID 54153384
(3E)-N-ethylhexa-3,5-dienamide
CID 155482476
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848

Frequently Asked Questions

What is the IUPAC name of sodium hexa-3,5-dienoate?
The IUPAC name of sodium hexa-3,5-dienoate (CID 74086378) is sodium hexa-3,5-dienoate.
What is the SMILES notation for sodium hexa-3,5-dienoate?
The canonical SMILES for sodium hexa-3,5-dienoate is C=CC=CCC(=O)[O-].[Na+].
What is the InChIKey of sodium hexa-3,5-dienoate?
The InChIKey is FSCRLFKEDPBAKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-4H,1,5H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium hexa-3,5-dienoate?
sodium hexa-3,5-dienoate has a molecular weight of 134.11 g/mol, XLogP of -3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hexa-3,5-dienoate is sourced from PubChem (CID 74086378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).