(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate

C16H20O2 — CID 68791034

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

About (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate

(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate (PubChem CID 68791034) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
PubChem CID68791034
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C=Cc1ccccc1)C(C)C
InChIInChI=1S/C16H20O2/c1-12(2)15(18-16(17)13(3)4)11-10-14-8-6-5-7-9-14/h5-12,15H,3H2,1-2,4H3
InChIKeyBUZKWMQQSGYMAG-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

[(E)-4,4-dimethyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate
CID 167189015
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939
[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
CID 21195052
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
CID 70229754
(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 175194257
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
methyl (E,2E,3R,4S)-4-methoxy-2-(methoxymethylidene)-3-methyl-6-phenylhex-5-enoate
CID 132607498
[(1E,3S,4R,5R)-3,5-dimethoxy-4,6-dimethylhepta-1,6-dienyl]benzene
CID 101250829

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate (CID 68791034) is (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C=Cc1ccccc1)C(C)C.
What is the InChIKey of (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate?
The InChIKey is BUZKWMQQSGYMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12(2)15(18-16(17)13(3)4)11-10-14-8-6-5-7-9-14/h5-12,15H,3H2,1-2,4H3.
What are the key properties of (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate?
(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-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 (4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 68791034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).