dodecan-3-yl prop-2-enoate

C15H28O2 — CID 543279

IUPACdodecan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-13-14(5-2)17-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyWEFMMDFFUIICKX-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds11

About dodecan-3-yl prop-2-enoate

dodecan-3-yl prop-2-enoate (PubChem CID 543279) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is dodecan-3-yl prop-2-enoate.

Molecular Properties

Compound Namedodecan-3-yl prop-2-enoate
PubChem CID543279
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namedodecan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CCCCCCCCC
InChIInChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-13-14(5-2)17-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyWEFMMDFFUIICKX-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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

[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
pentadecan-4-yl prop-2-enoate
CID 543287
but-3-enoic acid;octan-3-yl prop-2-enoate
CID 174501721
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
3-prop-2-enoyloxypentadecanoic acid
CID 57233107
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715

Frequently Asked Questions

What is the IUPAC name of dodecan-3-yl prop-2-enoate?
The IUPAC name of dodecan-3-yl prop-2-enoate (CID 543279) is dodecan-3-yl prop-2-enoate.
What is the SMILES notation for dodecan-3-yl prop-2-enoate?
The canonical SMILES for dodecan-3-yl prop-2-enoate is C=CC(=O)OC(CC)CCCCCCCCC.
What is the InChIKey of dodecan-3-yl prop-2-enoate?
The InChIKey is WEFMMDFFUIICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-7-8-9-10-11-12-13-14(5-2)17-15(16)6-3/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of dodecan-3-yl prop-2-enoate?
dodecan-3-yl prop-2-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-3-yl prop-2-enoate is sourced from PubChem (CID 543279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).