undecan-5-yl 2-methylprop-2-enoate

C15H28O2 — CID 87158130

IUPACundecan-5-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)CCCCCC
InChIInChI=1S/C15H28O2/c1-5-7-9-10-12-14(11-8-6-2)17-15(16)13(3)4/h14H,3,5-12H2,1-2,4H3
InChIKeyHPAWQXNOCBBGIE-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds10

About undecan-5-yl 2-methylprop-2-enoate

undecan-5-yl 2-methylprop-2-enoate (PubChem CID 87158130) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is undecan-5-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameundecan-5-yl 2-methylprop-2-enoate
PubChem CID87158130
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameundecan-5-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)CCCCCC
InChIInChI=1S/C15H28O2/c1-5-7-9-10-12-14(11-8-6-2)17-15(16)13(3)4/h14H,3,5-12H2,1-2,4H3
InChIKeyHPAWQXNOCBBGIE-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
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

tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
1-trimethoxysilylundecan-3-yl 2-methylprop-2-enoate
CID 22715444
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
8-ethyldodecan-6-yl 2-methylprop-2-enoate
CID 18995565
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
1-acetyloxyoctan-4-yl 2-methylprop-2-enoate
CID 87065567
1-dimethoxysilyldodecan-2-yl 2-methylprop-2-enoate
CID 175175896
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527

Frequently Asked Questions

What is the IUPAC name of undecan-5-yl 2-methylprop-2-enoate?
The IUPAC name of undecan-5-yl 2-methylprop-2-enoate (CID 87158130) is undecan-5-yl 2-methylprop-2-enoate.
What is the SMILES notation for undecan-5-yl 2-methylprop-2-enoate?
The canonical SMILES for undecan-5-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCC)CCCCCC.
What is the InChIKey of undecan-5-yl 2-methylprop-2-enoate?
The InChIKey is HPAWQXNOCBBGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-9-10-12-14(11-8-6-2)17-15(16)13(3)4/h14H,3,5-12H2,1-2,4H3.
What are the key properties of undecan-5-yl 2-methylprop-2-enoate?
undecan-5-yl 2-methylprop-2-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-5-yl 2-methylprop-2-enoate is sourced from PubChem (CID 87158130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).