prop-1-enyl dodecanoate

C15H28O2 — CID 87388098

IUPACprop-1-enyl dodecanoate
SMILESCC=COC(=O)CCCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h4,14H,3,5-13H2,1-2H3
InChIKeyCTZSTTBZAKGVFK-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.98
Rot. Bonds11

About prop-1-enyl dodecanoate

prop-1-enyl dodecanoate (PubChem CID 87388098) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is prop-1-enyl dodecanoate.

Molecular Properties

Compound Nameprop-1-enyl dodecanoate
PubChem CID87388098
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nameprop-1-enyl dodecanoate
SMILESCC=COC(=O)CCCCCCCCCCC
InChIInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h4,14H,3,5-13H2,1-2H3
InChIKeyCTZSTTBZAKGVFK-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(E)-prop-1-enyl] dodecanoate
CID 140543660
prop-1-enyl (Z)-octadec-9-enoate
CID 139967723
bis(prop-1-enyl) pentanedioate
CID 91189308
docos-1-enyl tetradecanoate
CID 141143815
octadec-1-enyl tetradecanoate
CID 71417711
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
tetracos-1-enyl (Z)-octadec-9-enoate
CID 174158582
formyl docosanoate
CID 87130713
formyl heptanoate
CID 57242473
pent-1-enyl hexanoate
CID 54364167
hex-1-enyl hexanoate
CID 54423513
3-methylbuta-1,3-dienyl tetradecanoate
CID 163397981

Frequently Asked Questions

What is the IUPAC name of prop-1-enyl dodecanoate?
The IUPAC name of prop-1-enyl dodecanoate (CID 87388098) is prop-1-enyl dodecanoate.
What is the SMILES notation for prop-1-enyl dodecanoate?
The canonical SMILES for prop-1-enyl dodecanoate is CC=COC(=O)CCCCCCCCCCC.
What is the InChIKey of prop-1-enyl dodecanoate?
The InChIKey is CTZSTTBZAKGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h4,14H,3,5-13H2,1-2H3.
What are the key properties of prop-1-enyl dodecanoate?
prop-1-enyl dodecanoate has a molecular weight of 240.39 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enyl dodecanoate is sourced from PubChem (CID 87388098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).