methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate

C16H22O2 — CID 162843726

IUPACmethyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate
SMILESCOC(=O)C(C)=CCCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22O2/c1-12(2)15-10-8-14(9-11-15)7-5-6-13(3)16(17)18-4/h6,8-12H,5,7H2,1-4H3
InChIKeyARJQDAMXWKRPTE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.86
Rot. Bonds5

About methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate

methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate (PubChem CID 162843726) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate
PubChem CID162843726
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate
SMILESCOC(=O)C(C)=CCCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H22O2/c1-12(2)15-10-8-14(9-11-15)7-5-6-13(3)16(17)18-4/h6,8-12H,5,7H2,1-4H3
InChIKeyARJQDAMXWKRPTE-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.86
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

Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Cinnamyl isobutyrate
CID 5355851
Linalyl cinnamate
CID 5355858
Isoamyl Cinnamate
CID 5273467
Allyl Cinnamate
CID 641423
Isobutyl Cinnamate
CID 778574
Propyl Cinnamate
CID 5270647
Butyl Cinnamate
CID 5273465
2-Butenoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester, (2E)-
CID 5367766
2-Propenoic acid, 3-phenyl-, pentyl ester
CID 97841
2-Propenoic acid, 3-phenyl-, methyl ester
CID 7644

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate?
The IUPAC name of methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate (CID 162843726) is methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate.
What is the SMILES notation for methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate?
The canonical SMILES for methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate is COC(=O)C(C)=CCCc1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate?
The InChIKey is ARJQDAMXWKRPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)15-10-8-14(9-11-15)7-5-6-13(3)16(17)18-4/h6,8-12H,5,7H2,1-4H3.
What are the key properties of methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate?
methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(4-propan-2-ylphenyl)pent-2-enoate is sourced from PubChem (CID 162843726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).