1-phenylnonyl 2-methylprop-2-enoate

C19H28O2 — CID 22335755

IUPAC1-phenylnonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC)c1ccccc1
InChIInChI=1S/C19H28O2/c1-4-5-6-7-8-12-15-18(21-19(20)16(2)3)17-13-10-9-11-14-17/h9-11,13-14,18H,2,4-8,12,15H2,1,3H3
InChIKeyXVMPJSGLFKJYBY-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.60
Rot. Bonds10

About 1-phenylnonyl 2-methylprop-2-enoate

1-phenylnonyl 2-methylprop-2-enoate (PubChem CID 22335755) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-phenylnonyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-phenylnonyl 2-methylprop-2-enoate
PubChem CID22335755
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-phenylnonyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCC)c1ccccc1
InChIInChI=1S/C19H28O2/c1-4-5-6-7-8-12-15-18(21-19(20)16(2)3)17-13-10-9-11-14-17/h9-11,13-14,18H,2,4-8,12,15H2,1,3H3
InChIKeyXVMPJSGLFKJYBY-UHFFFAOYSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
bis(1-phenyloctyl) carbonate
CID 67179048
tetrakis(1-phenylnonyl carbonate);tin(4+)
CID 162188042
[(1S)-1-phenylpentyl] acetate
CID 12651064
1-phenylpentyl 2-octyldecanoate
CID 129279318
1-phenylpentyl 2-hexyloctanoate
CID 129279315
1-phenylpentyl 2-decyldodecanoate
CID 129279378
1-(4-methylsulfanylphenyl)pentyl 2-methylprop-2-enoate
CID 156761879
1-phenylhexyl benzoate
CID 57263824
1-phenyloctyl propyl carbonate
CID 67180869
(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631

Frequently Asked Questions

What is the IUPAC name of 1-phenylnonyl 2-methylprop-2-enoate?
The IUPAC name of 1-phenylnonyl 2-methylprop-2-enoate (CID 22335755) is 1-phenylnonyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-phenylnonyl 2-methylprop-2-enoate?
The canonical SMILES for 1-phenylnonyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCC)c1ccccc1.
What is the InChIKey of 1-phenylnonyl 2-methylprop-2-enoate?
The InChIKey is XVMPJSGLFKJYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-4-5-6-7-8-12-15-18(21-19(20)16(2)3)17-13-10-9-11-14-17/h9-11,13-14,18H,2,4-8,12,15H2,1,3H3.
What are the key properties of 1-phenylnonyl 2-methylprop-2-enoate?
1-phenylnonyl 2-methylprop-2-enoate has a molecular weight of 288.43 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylnonyl 2-methylprop-2-enoate is sourced from PubChem (CID 22335755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).