prop-2-enoyl undec-10-enoate;zinc

C14H22O3Zn2 — CID 174962739

IUPACprop-2-enoyl undec-10-enoate;zinc
SMILESC=CCCCCCCCCC(=O)OC(=O)C=C.[Zn].[Zn]
InChIInChI=1S/C14H22O3.2Zn/c1-3-5-6-7-8-9-10-11-12-14(16)17-13(15)4-2;;/h3-4H,1-2,5-12H2;;
InChIKeyAMKRCAXHYKMJRE-UHFFFAOYSA-N
MW369.11 g/mol
LogP3.54
Rot. Bonds10

About prop-2-enoyl undec-10-enoate;zinc

prop-2-enoyl undec-10-enoate;zinc (PubChem CID 174962739) has the molecular formula C14H22O3Zn2 and a molecular weight of 369.11 g/mol. Its IUPAC name is prop-2-enoyl undec-10-enoate;zinc.

Molecular Properties

Compound Nameprop-2-enoyl undec-10-enoate;zinc
PubChem CID174962739
Molecular FormulaC14H22O3Zn2
Molecular Weight369.11 g/mol
Exact Mass366.02
IUPAC Nameprop-2-enoyl undec-10-enoate;zinc
SMILESC=CCCCCCCCCC(=O)OC(=O)C=C.[Zn].[Zn]
InChIInChI=1S/C14H22O3.2Zn/c1-3-5-6-7-8-9-10-11-12-14(16)17-13(15)4-2;;/h3-4H,1-2,5-12H2;;
InChIKeyAMKRCAXHYKMJRE-UHFFFAOYSA-N
XLogP3.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diprop-2-enoyl pentanedioate
CID 54164041
[(2E)-penta-2,4-dienoyl] hept-6-enoate
CID 174531308
prop-2-enoyl tetradecanoate
CID 157201572
dec-9-eneperoxoic acid
CID 177164421
sulfanyl undec-10-enoate
CID 87067735
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
2,3-dihydroxypropanoyl undec-10-enoate
CID 22325969
silyl hept-6-enoate
CID 154077289
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
bis(pent-4-enyl) decanedioate
CID 91694638
but-3-enyl hept-6-enoate
CID 86101121

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl undec-10-enoate;zinc?
The IUPAC name of prop-2-enoyl undec-10-enoate;zinc (CID 174962739) is prop-2-enoyl undec-10-enoate;zinc.
What is the SMILES notation for prop-2-enoyl undec-10-enoate;zinc?
The canonical SMILES for prop-2-enoyl undec-10-enoate;zinc is C=CCCCCCCCCC(=O)OC(=O)C=C.[Zn].[Zn].
What is the InChIKey of prop-2-enoyl undec-10-enoate;zinc?
The InChIKey is AMKRCAXHYKMJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3.2Zn/c1-3-5-6-7-8-9-10-11-12-14(16)17-13(15)4-2;;/h3-4H,1-2,5-12H2;;.
What are the key properties of prop-2-enoyl undec-10-enoate;zinc?
prop-2-enoyl undec-10-enoate;zinc has a molecular weight of 369.11 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl undec-10-enoate;zinc is sourced from PubChem (CID 174962739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).