methyl (E)-2-propan-2-ylpent-2-enoate

C9H16O2 — CID 10441923

IUPACmethyl (E)-2-propan-2-ylpent-2-enoate
SMILESCC/C=C(/C(=O)OC)C(C)C
InChIInChI=1S/C9H16O2/c1-5-6-8(7(2)3)9(10)11-4/h6-7H,5H2,1-4H3/b8-6+
InChIKeyGECNMEFCMHNGPE-SOFGYWHQSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds3

About methyl (E)-2-propan-2-ylpent-2-enoate

methyl (E)-2-propan-2-ylpent-2-enoate (PubChem CID 10441923) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is methyl (E)-2-propan-2-ylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-propan-2-ylpent-2-enoate
PubChem CID10441923
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namemethyl (E)-2-propan-2-ylpent-2-enoate
SMILESCC/C=C(/C(=O)OC)C(C)C
InChIInChI=1S/C9H16O2/c1-5-6-8(7(2)3)9(10)11-4/h6-7H,5H2,1-4H3/b8-6+
InChIKeyGECNMEFCMHNGPE-SOFGYWHQSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(1-aminoethyl)pent-2-enoate
CID 173355161
2-methoxyethyl 2-propan-2-ylpent-2-enoate
CID 54402624
methyl 3-methyl-2-methylidenebutanoate
CID 534902
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
methyl (E)-2-(diethoxymethyl)-3-hydroxyprop-2-enoate
CID 89407655
methyl 2-(tert-butylamino)pent-2-enoate
CID 174833701
methyl 3-amino-2-ethylidenehexanoate
CID 173027771
methyl (Z)-2-ethyl-4-(2-methylpentan-3-ylamino)but-2-enoate
CID 103244160
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
ethane;methyl carbamate;2-methylpentane;molecular hydrogen
CID 143037525
dimethyl oxalate
CID 11120
methyl 2-diazo-3-methylbutanoate
CID 71373020

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-propan-2-ylpent-2-enoate?
The IUPAC name of methyl (E)-2-propan-2-ylpent-2-enoate (CID 10441923) is methyl (E)-2-propan-2-ylpent-2-enoate.
What is the SMILES notation for methyl (E)-2-propan-2-ylpent-2-enoate?
The canonical SMILES for methyl (E)-2-propan-2-ylpent-2-enoate is CC/C=C(/C(=O)OC)C(C)C.
What is the InChIKey of methyl (E)-2-propan-2-ylpent-2-enoate?
The InChIKey is GECNMEFCMHNGPE-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-6-8(7(2)3)9(10)11-4/h6-7H,5H2,1-4H3/b8-6+.
What are the key properties of methyl (E)-2-propan-2-ylpent-2-enoate?
methyl (E)-2-propan-2-ylpent-2-enoate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-propan-2-ylpent-2-enoate is sourced from PubChem (CID 10441923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).