[(E)-prop-1-enyl] dodecanoate

C15H28O2 — CID 140543660

IUPAC[(E)-prop-1-enyl] dodecanoate
SMILESC/C=C/OC(=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/b14-4+
InChIKeyCTZSTTBZAKGVFK-LNKIKWGQSA-N
MW240.39 g/mol
LogP4.98
Rot. Bonds11

About [(E)-prop-1-enyl] dodecanoate

[(E)-prop-1-enyl] dodecanoate (PubChem CID 140543660) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(E)-prop-1-enyl] dodecanoate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] dodecanoate
PubChem CID140543660
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(E)-prop-1-enyl] dodecanoate
SMILESC/C=C/OC(=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/b14-4+
InChIKeyCTZSTTBZAKGVFK-LNKIKWGQSA-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

prop-1-enyl dodecanoate
CID 87388098
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 heptanoate
CID 57242473
formyl docosanoate
CID 87130713
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 [(E)-prop-1-enyl] dodecanoate?
The IUPAC name of [(E)-prop-1-enyl] dodecanoate (CID 140543660) is [(E)-prop-1-enyl] dodecanoate.
What is the SMILES notation for [(E)-prop-1-enyl] dodecanoate?
The canonical SMILES for [(E)-prop-1-enyl] dodecanoate is C/C=C/OC(=O)CCCCCCCCCCC.
What is the InChIKey of [(E)-prop-1-enyl] dodecanoate?
The InChIKey is CTZSTTBZAKGVFK-LNKIKWGQSA-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/b14-4+.
What are the key properties of [(E)-prop-1-enyl] dodecanoate?
[(E)-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 [(E)-prop-1-enyl] dodecanoate is sourced from PubChem (CID 140543660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).