(Z)-3,3-dimethylnon-4-enoate

C11H19O2- — CID 90487568

IUPAC(Z)-3,3-dimethylnon-4-enoate
SMILESCCCC/C=C\C(C)(C)CC(=O)[O-]
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h7-8H,4-6,9H2,1-3H3,(H,12,13)/p-1/b8-7-
InChIKeyATIFKDUKGHHSHI-FPLPWBNLSA-M
MW183.27 g/mol
LogP1.90
Rot. Bonds6

About (Z)-3,3-dimethylnon-4-enoate

(Z)-3,3-dimethylnon-4-enoate (PubChem CID 90487568) has the molecular formula C11H19O2- and a molecular weight of 183.27 g/mol. Its IUPAC name is (Z)-3,3-dimethylnon-4-enoate.

Molecular Properties

Compound Name(Z)-3,3-dimethylnon-4-enoate
PubChem CID90487568
Molecular FormulaC11H19O2-
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(Z)-3,3-dimethylnon-4-enoate
SMILESCCCC/C=C\C(C)(C)CC(=O)[O-]
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h7-8H,4-6,9H2,1-3H3,(H,12,13)/p-1/b8-7-
InChIKeyATIFKDUKGHHSHI-FPLPWBNLSA-M
XLogP1.90
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
(E)-3,3-dimethyloct-4-enoic acid
CID 20576805
methyl (E)-2,2,4,4-tetramethyldec-5-enoate
CID 126703602
(Z)-tetradec-9-enoate
CID 5461014
(E)-octadec-13-enoate
CID 19042742
icosa-5,15-dienoate
CID 57350570
(5E,15Z)-icosa-5,15-dienoate
CID 154825312
calcium bis(hept-2-enoate)
CID 141143408
(4E,6E)-3-hydroxy-3-[(trimethylazaniumyl)methyl]heptadeca-4,6-dienoate
CID 156963711
lanthanum(3+);tris((Z)-tetradec-9-enoate)
CID 158310142
(E)-3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]heptadec-5-enoate
CID 145391111
(E,3R)-3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]nonadec-5-enoate
CID 171559208

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-dimethylnon-4-enoate?
The IUPAC name of (Z)-3,3-dimethylnon-4-enoate (CID 90487568) is (Z)-3,3-dimethylnon-4-enoate.
What is the SMILES notation for (Z)-3,3-dimethylnon-4-enoate?
The canonical SMILES for (Z)-3,3-dimethylnon-4-enoate is CCCC/C=C\C(C)(C)CC(=O)[O-].
What is the InChIKey of (Z)-3,3-dimethylnon-4-enoate?
The InChIKey is ATIFKDUKGHHSHI-FPLPWBNLSA-M. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h7-8H,4-6,9H2,1-3H3,(H,12,13)/p-1/b8-7-.
What are the key properties of (Z)-3,3-dimethylnon-4-enoate?
(Z)-3,3-dimethylnon-4-enoate has a molecular weight of 183.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-dimethylnon-4-enoate is sourced from PubChem (CID 90487568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).