[(Z)-hex-3-enyl] 2,2-dimethylpropanoate

C11H20O2 — CID 20836220

IUPAC[(Z)-hex-3-enyl] 2,2-dimethylpropanoate
SMILESCC/C=C\CCOC(=O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h6-7H,5,8-9H2,1-4H3/b7-6-
InChIKeyJGXBXELJDMGEAB-SREVYHEPSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds4

About [(Z)-hex-3-enyl] 2,2-dimethylpropanoate

[(Z)-hex-3-enyl] 2,2-dimethylpropanoate (PubChem CID 20836220) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 2,2-dimethylpropanoate
PubChem CID20836220
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[(Z)-hex-3-enyl] 2,2-dimethylpropanoate
SMILESCC/C=C\CCOC(=O)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h6-7H,5,8-9H2,1-4H3/b7-6-
InChIKeyJGXBXELJDMGEAB-SREVYHEPSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(Z)-hex-3-enyl] 2,2-dimethylpropanoate (CID 20836220) is [(Z)-hex-3-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 2,2-dimethylpropanoate is CC/C=C\CCOC(=O)C(C)(C)C.
What is the InChIKey of [(Z)-hex-3-enyl] 2,2-dimethylpropanoate?
The InChIKey is JGXBXELJDMGEAB-SREVYHEPSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h6-7H,5,8-9H2,1-4H3/b7-6-.
What are the key properties of [(Z)-hex-3-enyl] 2,2-dimethylpropanoate?
[(Z)-hex-3-enyl] 2,2-dimethylpropanoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 20836220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).