potassium (Z)-3-chlorooct-2-enoate

C8H12ClKO2 — CID 101279412

IUPACpotassium (Z)-3-chlorooct-2-enoate
SMILESCCCCC/C(Cl)=C/C(=O)[O-].[K+]
InChIInChI=1S/C8H13ClO2.K/c1-2-3-4-5-7(9)6-8(10)11;/h6H,2-5H2,1H3,(H,10,11);/q;+1/p-1/b7-6-;
InChIKeyDDDNUUIOQKNLJM-NAFXZHHSSA-M
MW214.73 g/mol
LogP-1.56
Rot. Bonds5

About potassium (Z)-3-chlorooct-2-enoate

potassium (Z)-3-chlorooct-2-enoate (PubChem CID 101279412) has the molecular formula C8H12ClKO2 and a molecular weight of 214.73 g/mol. Its IUPAC name is potassium (Z)-3-chlorooct-2-enoate.

Molecular Properties

Compound Namepotassium (Z)-3-chlorooct-2-enoate
PubChem CID101279412
Molecular FormulaC8H12ClKO2
Molecular Weight214.73 g/mol
Exact Mass214.02
IUPAC Namepotassium (Z)-3-chlorooct-2-enoate
SMILESCCCCC/C(Cl)=C/C(=O)[O-].[K+]
InChIInChI=1S/C8H13ClO2.K/c1-2-3-4-5-7(9)6-8(10)11;/h6H,2-5H2,1H3,(H,10,11);/q;+1/p-1/b7-6-;
InChIKeyDDDNUUIOQKNLJM-NAFXZHHSSA-M
XLogP-1.56
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.73
LogP ≤ 5-1.56
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'}

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Related Compounds

strontium (Z)-2-dodecylbut-2-enedioate
CID 140979264
calcium (E)-2-octadecylbut-2-enedioate
CID 174675129
dimagnesium bis((Z)-2-nonylbut-2-enedioate)
CID 158045623
magnesium (Z)-2-dodecylbut-2-enedioate
CID 140979262
disodium;(Z)-2-octadecylbut-2-enedioate
CID 87072722
dicalcium bis((Z)-2-octadecylbut-2-enedioate)
CID 158633058
dimagnesium bis((Z)-2-decylbut-2-enedioate)
CID 159372540
(Z)-2,5-dichlorodec-4-en-3-one
CID 135086504
disodium;(E)-2-octadecanoylbut-2-enedioate
CID 87703910
(E)-2-butylbut-2-enedioate
CID 135080629
dibutyltin(2+);(Z)-2-octylbut-2-enedioate
CID 159527383
silver 9-chlorooctadec-9-enoate
CID 173443015

Frequently Asked Questions

What is the IUPAC name of potassium (Z)-3-chlorooct-2-enoate?
The IUPAC name of potassium (Z)-3-chlorooct-2-enoate (CID 101279412) is potassium (Z)-3-chlorooct-2-enoate.
What is the SMILES notation for potassium (Z)-3-chlorooct-2-enoate?
The canonical SMILES for potassium (Z)-3-chlorooct-2-enoate is CCCCC/C(Cl)=C/C(=O)[O-].[K+].
What is the InChIKey of potassium (Z)-3-chlorooct-2-enoate?
The InChIKey is DDDNUUIOQKNLJM-NAFXZHHSSA-M. The full InChI is InChI=1S/C8H13ClO2.K/c1-2-3-4-5-7(9)6-8(10)11;/h6H,2-5H2,1H3,(H,10,11);/q;+1/p-1/b7-6-;.
What are the key properties of potassium (Z)-3-chlorooct-2-enoate?
potassium (Z)-3-chlorooct-2-enoate has a molecular weight of 214.73 g/mol, XLogP of -1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-3-chlorooct-2-enoate is sourced from PubChem (CID 101279412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).