[(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate

C15H20O2 — CID 134312224

IUPAC[(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate
SMILESC/C=C\C(C)(C)OC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H20O2/c1-6-9-15(4,5)17-14(16)13-8-7-11(2)10-12(13)3/h6-10H,1-5H3/b9-6-
InChIKeyPNKQEKCDCCGXPG-TWGQIWQCSA-N
MW232.32 g/mol
LogP3.81
Rot. Bonds3

About [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate

[(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate (PubChem CID 134312224) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate
PubChem CID134312224
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate
SMILESC/C=C\C(C)(C)OC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H20O2/c1-6-9-15(4,5)17-14(16)13-8-7-11(2)10-12(13)3/h6-10H,1-5H3/b9-6-
InChIKeyPNKQEKCDCCGXPG-TWGQIWQCSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-deuterio-2-methylpropan-2-yl) 2,4-dimethylbenzoate
CID 141167332
ditert-butyl 2-methylbenzene-1,4-dicarboxylate
CID 175662987
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 89444800
3-oxopropyl 2,4-dimethylbenzoate
CID 175056992
bis[(2,4-dimethylbenzoyl)oxymethyl] propanedioate
CID 69065317
tert-butyl 4-bromo-2-methylbenzoate;ethane
CID 144552555
tert-butyl 4-ethyl-2-methylbenzoate
CID 123623163
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
1,3-benzodioxol-5-yl 2,4-dimethylbenzoate
CID 8766435
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate
CID 583794

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate?
The IUPAC name of [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate (CID 134312224) is [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate.
What is the SMILES notation for [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate?
The canonical SMILES for [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate is C/C=C\C(C)(C)OC(=O)c1ccc(C)cc1C.
What is the InChIKey of [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate?
The InChIKey is PNKQEKCDCCGXPG-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H20O2/c1-6-9-15(4,5)17-14(16)13-8-7-11(2)10-12(13)3/h6-10H,1-5H3/b9-6-.
What are the key properties of [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate?
[(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate has a molecular weight of 232.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylpent-3-en-2-yl] 2,4-dimethylbenzoate is sourced from PubChem (CID 134312224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).