14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate

C22H38O4 — CID 3612688

IUPAC14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCOC(=O)C(=C)C
InChIInChI=1S/C22H38O4/c1-19(2)21(23)25-17-15-13-11-9-7-5-6-8-10-12-14-16-18-26-22(24)20(3)4/h1,3,5-18H2,2,4H3
InChIKeyPYLRGSOFJMYQNO-UHFFFAOYSA-N
MW366.54 g/mol
LogP5.91
Rot. Bonds17

About 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate

14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate (PubChem CID 3612688) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate
PubChem CID3612688
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCOC(=O)C(=C)C
InChIInChI=1S/C22H38O4/c1-19(2)21(23)25-17-15-13-11-9-7-5-6-8-10-12-14-16-18-26-22(24)20(3)4/h1,3,5-18H2,2,4H3
InChIKeyPYLRGSOFJMYQNO-UHFFFAOYSA-N
XLogP5.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate?
The IUPAC name of 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate (CID 3612688) is 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate.
What is the SMILES notation for 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate?
The canonical SMILES for 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCCOC(=O)C(=C)C.
What is the InChIKey of 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate?
The InChIKey is PYLRGSOFJMYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O4/c1-19(2)21(23)25-17-15-13-11-9-7-5-6-8-10-12-14-16-18-26-22(24)20(3)4/h1,3,5-18H2,2,4H3.
What are the key properties of 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate?
14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate has a molecular weight of 366.54 g/mol, XLogP of 5.91, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-methylprop-2-enoyloxy)tetradecyl 2-methylprop-2-enoate is sourced from PubChem (CID 3612688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).