tridecan-5-yl 2-methylprop-2-enoate

C17H32O2 — CID 164546460

IUPACtridecan-5-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)CCCCCCCC
InChIInChI=1S/C17H32O2/c1-5-7-9-10-11-12-14-16(13-8-6-2)19-17(18)15(3)4/h16H,3,5-14H2,1-2,4H3
InChIKeySSHBKARIOATEPU-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.42
Rot. Bonds12

About tridecan-5-yl 2-methylprop-2-enoate

tridecan-5-yl 2-methylprop-2-enoate (PubChem CID 164546460) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is tridecan-5-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Nametridecan-5-yl 2-methylprop-2-enoate
PubChem CID164546460
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Nametridecan-5-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCC)CCCCCCCC
InChIInChI=1S/C17H32O2/c1-5-7-9-10-11-12-14-16(13-8-6-2)19-17(18)15(3)4/h16H,3,5-14H2,1-2,4H3
InChIKeySSHBKARIOATEPU-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.42
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

undecan-5-yl 2-methylprop-2-enoate
CID 87158130
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 tridecan-5-yl 2-methylprop-2-enoate?
The IUPAC name of tridecan-5-yl 2-methylprop-2-enoate (CID 164546460) is tridecan-5-yl 2-methylprop-2-enoate.
What is the SMILES notation for tridecan-5-yl 2-methylprop-2-enoate?
The canonical SMILES for tridecan-5-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCC)CCCCCCCC.
What is the InChIKey of tridecan-5-yl 2-methylprop-2-enoate?
The InChIKey is SSHBKARIOATEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-5-7-9-10-11-12-14-16(13-8-6-2)19-17(18)15(3)4/h16H,3,5-14H2,1-2,4H3.
What are the key properties of tridecan-5-yl 2-methylprop-2-enoate?
tridecan-5-yl 2-methylprop-2-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridecan-5-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164546460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).