styrene;tridecyl prop-2-enoate

C24H38O2 — CID 70120047

IUPACstyrene;tridecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCC.C=Cc1ccccc1
InChIInChI=1S/C16H30O2.C8H8/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2;1-2-8-6-4-3-5-7-8/h4H,2-3,5-15H2,1H3;2-7H,1H2
InChIKeyQACCPTRAWSBFSM-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.36
Rot. Bonds14

About styrene;tridecyl prop-2-enoate

styrene;tridecyl prop-2-enoate (PubChem CID 70120047) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is styrene;tridecyl prop-2-enoate.

Molecular Properties

Compound Namestyrene;tridecyl prop-2-enoate
PubChem CID70120047
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Namestyrene;tridecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCC.C=Cc1ccccc1
InChIInChI=1S/C16H30O2.C8H8/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2;1-2-8-6-4-3-5-7-8/h4H,2-3,5-15H2,1H3;2-7H,1H2
InChIKeyQACCPTRAWSBFSM-UHFFFAOYSA-N
XLogP7.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.36
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

butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
N-methylprop-2-enamide;octyl prop-2-enoate;prop-1-ene;styrene
CID 91287712
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
CID 6454035
dibutyl but-2-enedioate;styrene
CID 70528436
butyl prop-2-enoate;styrene;2,2,2-trifluoroethyl prop-2-enoate
CID 67725211
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of styrene;tridecyl prop-2-enoate?
The IUPAC name of styrene;tridecyl prop-2-enoate (CID 70120047) is styrene;tridecyl prop-2-enoate.
What is the SMILES notation for styrene;tridecyl prop-2-enoate?
The canonical SMILES for styrene;tridecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCC.C=Cc1ccccc1.
What is the InChIKey of styrene;tridecyl prop-2-enoate?
The InChIKey is QACCPTRAWSBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C8H8/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2;1-2-8-6-4-3-5-7-8/h4H,2-3,5-15H2,1H3;2-7H,1H2.
What are the key properties of styrene;tridecyl prop-2-enoate?
styrene;tridecyl prop-2-enoate has a molecular weight of 358.57 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;tridecyl prop-2-enoate is sourced from PubChem (CID 70120047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).