3-phenylpentan-3-yl prop-2-enoate

C14H18O2 — CID 22709184

IUPAC3-phenylpentan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-13(15)16-14(5-2,6-3)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3
InChIKeyZFIBNIVMBLYXKO-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds5

About 3-phenylpentan-3-yl prop-2-enoate

3-phenylpentan-3-yl prop-2-enoate (PubChem CID 22709184) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-phenylpentan-3-yl prop-2-enoate.

Molecular Properties

Compound Name3-phenylpentan-3-yl prop-2-enoate
PubChem CID22709184
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-phenylpentan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-13(15)16-14(5-2,6-3)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3
InChIKeyZFIBNIVMBLYXKO-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-3-yl)pentan-3-yl prop-2-enoate
CID 118262914
(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
CID 174732463
dimethyl-(1-phenyl-1-prop-2-enoyloxyethyl)-propylazanium
CID 158895838
(1-phenyl-1-phenylmethoxyethyl) prop-2-enoate
CID 175303935
[1-phenoxy-1-[4-[4-(1-phenoxy-1-prop-2-enoyloxypropoxy)phenyl]phenoxy]propyl] prop-2-enoate
CID 89187894
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
3-phenylpentan-3-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 155129067
(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate
CID 171535388
(1-amino-2-cyano-1-phenylethyl) prop-2-enoate
CID 166665054
[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 139685478
2-(2-hydroxy-3-prop-2-enoyloxypentan-3-yl)oxycarbonylbenzoic acid
CID 174391621
2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826

Frequently Asked Questions

What is the IUPAC name of 3-phenylpentan-3-yl prop-2-enoate?
The IUPAC name of 3-phenylpentan-3-yl prop-2-enoate (CID 22709184) is 3-phenylpentan-3-yl prop-2-enoate.
What is the SMILES notation for 3-phenylpentan-3-yl prop-2-enoate?
The canonical SMILES for 3-phenylpentan-3-yl prop-2-enoate is C=CC(=O)OC(CC)(CC)c1ccccc1.
What is the InChIKey of 3-phenylpentan-3-yl prop-2-enoate?
The InChIKey is ZFIBNIVMBLYXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-13(15)16-14(5-2,6-3)12-10-8-7-9-11-12/h4,7-11H,1,5-6H2,2-3H3.
What are the key properties of 3-phenylpentan-3-yl prop-2-enoate?
3-phenylpentan-3-yl prop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpentan-3-yl prop-2-enoate is sourced from PubChem (CID 22709184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).