tetradecyl 2-methylprop-2-enoate

C18H34O2 — CID 17351

IUPACtetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3
InChIKeyATZHWSYYKQKSSY-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds14

About tetradecyl 2-methylprop-2-enoate

tetradecyl 2-methylprop-2-enoate (PubChem CID 17351) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is tetradecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametetradecyl 2-methylprop-2-enoate
PubChem CID17351
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Nametetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3
InChIKeyATZHWSYYKQKSSY-UHFFFAOYSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.81
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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Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-methylprop-2-enoate?
The IUPAC name of tetradecyl 2-methylprop-2-enoate (CID 17351) is tetradecyl 2-methylprop-2-enoate.
What is the SMILES notation for tetradecyl 2-methylprop-2-enoate?
The canonical SMILES for tetradecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-methylprop-2-enoate?
The InChIKey is ATZHWSYYKQKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3.
What are the key properties of tetradecyl 2-methylprop-2-enoate?
tetradecyl 2-methylprop-2-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-methylprop-2-enoate is sourced from PubChem (CID 17351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).