2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate

C18H30O4 — CID 87149420

IUPAC2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)OC(=O)C(=C)C
InChIInChI=1S/C18H30O4/c1-6-7-8-9-10-11-12-16(22-18(20)15(4)5)13-21-17(19)14(2)3/h16H,2,4,6-13H2,1,3,5H3
InChIKeyPGILKWYQSRPDLO-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.34
Rot. Bonds12

About 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate

2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate (PubChem CID 87149420) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
PubChem CID87149420
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)OC(=O)C(=C)C
InChIInChI=1S/C18H30O4/c1-6-7-8-9-10-11-12-16(22-18(20)15(4)5)13-21-17(19)14(2)3/h16H,2,4,6-13H2,1,3,5H3
InChIKeyPGILKWYQSRPDLO-UHFFFAOYSA-N
XLogP4.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.34
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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Related Compounds

pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
CID 175175896
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
CID 22715444
2-cyanooctyl 2-methylprop-2-enoate
CID 139633451

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate (CID 87149420) is 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCCCCCC)OC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate?
The InChIKey is PGILKWYQSRPDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-6-7-8-9-10-11-12-16(22-18(20)15(4)5)13-21-17(19)14(2)3/h16H,2,4,6-13H2,1,3,5H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate has a molecular weight of 310.43 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 87149420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).