1-phenyldecyl 2-methylprop-2-enoate

C20H30O2 — CID 140764423

IUPAC1-phenyldecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCC)c1ccccc1
InChIInChI=1S/C20H30O2/c1-4-5-6-7-8-9-13-16-19(22-20(21)17(2)3)18-14-11-10-12-15-18/h10-12,14-15,19H,2,4-9,13,16H2,1,3H3
InChIKeyINWDZFOHKARYMD-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.99
Rot. Bonds11

About 1-phenyldecyl 2-methylprop-2-enoate

1-phenyldecyl 2-methylprop-2-enoate (PubChem CID 140764423) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-phenyldecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-phenyldecyl 2-methylprop-2-enoate
PubChem CID140764423
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-phenyldecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCCCCCC)c1ccccc1
InChIInChI=1S/C20H30O2/c1-4-5-6-7-8-9-13-16-19(22-20(21)17(2)3)18-14-11-10-12-15-18/h10-12,14-15,19H,2,4-9,13,16H2,1,3H3
InChIKeyINWDZFOHKARYMD-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.99
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-phenylnonyl 2-methylprop-2-enoate
CID 22335755
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-phenyldecyl 2-methylprop-2-enoate?
The IUPAC name of 1-phenyldecyl 2-methylprop-2-enoate (CID 140764423) is 1-phenyldecyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-phenyldecyl 2-methylprop-2-enoate?
The canonical SMILES for 1-phenyldecyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCCCCCC)c1ccccc1.
What is the InChIKey of 1-phenyldecyl 2-methylprop-2-enoate?
The InChIKey is INWDZFOHKARYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-4-5-6-7-8-9-13-16-19(22-20(21)17(2)3)18-14-11-10-12-15-18/h10-12,14-15,19H,2,4-9,13,16H2,1,3H3.
What are the key properties of 1-phenyldecyl 2-methylprop-2-enoate?
1-phenyldecyl 2-methylprop-2-enoate has a molecular weight of 302.46 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldecyl 2-methylprop-2-enoate is sourced from PubChem (CID 140764423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).