ethyl 2-methyl-5-phenylmethoxypent-2-enoate

C15H20O3 — CID 71337058

IUPACethyl 2-methyl-5-phenylmethoxypent-2-enoate
SMILESCCOC(=O)C(C)=CCCOCc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-18-15(16)13(2)8-7-11-17-12-14-9-5-4-6-10-14/h4-6,8-10H,3,7,11-12H2,1-2H3
InChIKeyNSWDPDGDFNWNPF-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.10
Rot. Bonds7

About ethyl 2-methyl-5-phenylmethoxypent-2-enoate

ethyl 2-methyl-5-phenylmethoxypent-2-enoate (PubChem CID 71337058) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-methyl-5-phenylmethoxypent-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-5-phenylmethoxypent-2-enoate
PubChem CID71337058
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl 2-methyl-5-phenylmethoxypent-2-enoate
SMILESCCOC(=O)C(C)=CCCOCc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-18-15(16)13(2)8-7-11-17-12-14-9-5-4-6-10-14/h4-6,8-10H,3,7,11-12H2,1-2H3
InChIKeyNSWDPDGDFNWNPF-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
ethyl (E,6E)-2-methyl-6-(2-phenylmethoxyethylidene)non-2-enoate
CID 10404397
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
ethyl 6-phenylmethoxy-2-propan-2-ylhex-2-enoate
CID 90826355
benzyl 2-methyloct-2-enoate
CID 154247203
benzyl 2-methylhenicos-2-enoate
CID 174383758
2-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
benzyl 2-methyl-4-phenylbut-2-enoate
CID 56992383
benzyl 2-methyl-5-phenoxypent-2-enoate;prop-2-enoic acid
CID 174943617
ethyl (E,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyhept-2-enoate
CID 11099256
ethyl (4S,5S,6R,7R,8S,9R,10R,11R,12R)-5,7,9,11-tetrahydroxy-2,4,6,8,10,12-hexamethyl-13-phenylmethoxytridec-2-enoate
CID 57360752

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-phenylmethoxypent-2-enoate?
The IUPAC name of ethyl 2-methyl-5-phenylmethoxypent-2-enoate (CID 71337058) is ethyl 2-methyl-5-phenylmethoxypent-2-enoate.
What is the SMILES notation for ethyl 2-methyl-5-phenylmethoxypent-2-enoate?
The canonical SMILES for ethyl 2-methyl-5-phenylmethoxypent-2-enoate is CCOC(=O)C(C)=CCCOCc1ccccc1.
What is the InChIKey of ethyl 2-methyl-5-phenylmethoxypent-2-enoate?
The InChIKey is NSWDPDGDFNWNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-15(16)13(2)8-7-11-17-12-14-9-5-4-6-10-14/h4-6,8-10H,3,7,11-12H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-phenylmethoxypent-2-enoate?
ethyl 2-methyl-5-phenylmethoxypent-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-phenylmethoxypent-2-enoate is sourced from PubChem (CID 71337058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).