decyl 2-methylprop-2-enoate

C14H26O2 — CID 18510

IUPACdecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCC
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3
InChIKeyGTBGXKPAKVYEKJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.25
Rot. Bonds10

About decyl 2-methylprop-2-enoate

decyl 2-methylprop-2-enoate (PubChem CID 18510) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedecyl 2-methylprop-2-enoate
PubChem CID18510
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namedecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCC
InChIInChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3
InChIKeyGTBGXKPAKVYEKJ-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.25
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

Lauryl Methacrylate
CID 8906
2-Ethylhexyl methacrylate
CID 12713
Hexyl methacrylate
CID 8872
Cyclohexyl methacrylate
CID 7561
Tridecyl methacrylate
CID 17234
Isodecyl methacrylate
CID 34763
Decyl acrylate
CID 16541
Hexadecyl methacrylate
CID 17235
1,6-Hexanediol, dimethacrylate
CID 81080
Tetradecyl methacrylate
CID 17351
1,10-Decamethylene dimethacrylate
CID 81196
Tridecyl acrylate
CID 18316

Frequently Asked Questions

What is the IUPAC name of decyl 2-methylprop-2-enoate?
The IUPAC name of decyl 2-methylprop-2-enoate (CID 18510) is decyl 2-methylprop-2-enoate.
What is the SMILES notation for decyl 2-methylprop-2-enoate?
The canonical SMILES for decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 2-methylprop-2-enoate?
The InChIKey is GTBGXKPAKVYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3.
What are the key properties of decyl 2-methylprop-2-enoate?
decyl 2-methylprop-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-methylprop-2-enoate is sourced from PubChem (CID 18510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).