(2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate

C16H20O2 — CID 174658187

IUPAC(2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C(C)C=Cc1ccccc1
InChIInChI=1S/C16H20O2/c1-5-15(17)18-16(3,4)13(2)11-12-14-9-7-6-8-10-14/h5-13H,1H2,2-4H3
InChIKeyUCGJXNCCBXSOQU-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.84
Rot. Bonds5

About (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate

(2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate (PubChem CID 174658187) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate
PubChem CID174658187
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(C)(C)C(C)C=Cc1ccccc1
InChIInChI=1S/C16H20O2/c1-5-15(17)18-16(3,4)13(2)11-12-14-9-7-6-8-10-14/h5-13H,1H2,2-4H3
InChIKeyUCGJXNCCBXSOQU-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.84
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

tert-butyl prop-2-enoate;prop-1-en-2-ylbenzene;styrene
CID 174427640
tert-butyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
CID 10955879
tert-butyl prop-2-enoate;terephthalaldehyde
CID 174337591
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
[(E)-4-phenylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10776819
calcium;hydride;2-phenylethenyl prop-2-enoate
CID 174470011
tert-butyl prop-2-enoate
CID 158231977
2-(3-hydroxy-2-prop-2-enoyloxybutan-2-yl)oxycarbonylbenzoic acid
CID 174350482
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
prop-2-enyl 2-(methylamino)-4-phenylbut-3-enoate
CID 67624373
[3-(2-phenylethenyl)-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 174679512

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate?
The IUPAC name of (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate (CID 174658187) is (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate.
What is the SMILES notation for (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate?
The canonical SMILES for (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate is C=CC(=O)OC(C)(C)C(C)C=Cc1ccccc1.
What is the InChIKey of (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate?
The InChIKey is UCGJXNCCBXSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-5-15(17)18-16(3,4)13(2)11-12-14-9-7-6-8-10-14/h5-13H,1H2,2-4H3.
What are the key properties of (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate?
(2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate has a molecular weight of 244.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-5-phenylpent-4-en-2-yl) prop-2-enoate is sourced from PubChem (CID 174658187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).