ethyl 4-methyl-3-phenylpent-3-enoate

C14H18O2 — CID 14521609

IUPACethyl 4-methyl-3-phenylpent-3-enoate
SMILESCCOC(=O)CC(=C(C)C)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-16-14(15)10-13(11(2)3)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeyRCXLACVXEZZWED-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds4

About ethyl 4-methyl-3-phenylpent-3-enoate

ethyl 4-methyl-3-phenylpent-3-enoate (PubChem CID 14521609) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 4-methyl-3-phenylpent-3-enoate.

Molecular Properties

Compound Nameethyl 4-methyl-3-phenylpent-3-enoate
PubChem CID14521609
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl 4-methyl-3-phenylpent-3-enoate
SMILESCCOC(=O)CC(=C(C)C)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-16-14(15)10-13(11(2)3)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeyRCXLACVXEZZWED-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl (Z)-3-phenylpent-3-enoate
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ethyl (Z)-2-methyl-3-phenylpent-2-enoate
CID 15743107
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CID 174984121
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-phenylpent-3-enoate?
The IUPAC name of ethyl 4-methyl-3-phenylpent-3-enoate (CID 14521609) is ethyl 4-methyl-3-phenylpent-3-enoate.
What is the SMILES notation for ethyl 4-methyl-3-phenylpent-3-enoate?
The canonical SMILES for ethyl 4-methyl-3-phenylpent-3-enoate is CCOC(=O)CC(=C(C)C)c1ccccc1.
What is the InChIKey of ethyl 4-methyl-3-phenylpent-3-enoate?
The InChIKey is RCXLACVXEZZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-16-14(15)10-13(11(2)3)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 4-methyl-3-phenylpent-3-enoate?
ethyl 4-methyl-3-phenylpent-3-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-phenylpent-3-enoate is sourced from PubChem (CID 14521609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).