tetradec-1-enyl prop-2-enoate

C17H30O2 — CID 140580779

IUPACtetradec-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCCCCCCCCCCCC
InChIInChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4,15-16H,2-3,5-14H2,1H3
InChIKeyYKHNIFREKWGXSR-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.54
Rot. Bonds13

About tetradec-1-enyl prop-2-enoate

tetradec-1-enyl prop-2-enoate (PubChem CID 140580779) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is tetradec-1-enyl prop-2-enoate.

Molecular Properties

Compound Nametetradec-1-enyl prop-2-enoate
PubChem CID140580779
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Nametetradec-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCCCCCCCCCCCC
InChIInChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4,15-16H,2-3,5-14H2,1H3
InChIKeyYKHNIFREKWGXSR-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.54
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hept-1-enyl prop-2-enoate
CID 91566435
hex-1-enyl prop-2-enoate
CID 54292849
octadec-1-enyl icos-2-enoate
CID 53437848
icos-1-enyl docos-2-enoate
CID 54494040
[(Z)-oct-1-enyl] (E)-but-2-enoate
CID 101221127
[(E)-hexadec-1-enyl] acetate
CID 5376351
[(1Z,9Z)-hexadeca-1,9-dienyl] acetate
CID 175213059
dec-1-enyl propanoate
CID 54106013
[(1E,8Z)-tetradeca-1,8-dienyl] acetate
CID 11708627
docos-1-enyl tetradecanoate
CID 141143815
undec-1-enyl pentanoate
CID 150139235
octadec-1-enyl tetradecanoate
CID 71417711

Frequently Asked Questions

What is the IUPAC name of tetradec-1-enyl prop-2-enoate?
The IUPAC name of tetradec-1-enyl prop-2-enoate (CID 140580779) is tetradec-1-enyl prop-2-enoate.
What is the SMILES notation for tetradec-1-enyl prop-2-enoate?
The canonical SMILES for tetradec-1-enyl prop-2-enoate is C=CC(=O)OC=CCCCCCCCCCCCC.
What is the InChIKey of tetradec-1-enyl prop-2-enoate?
The InChIKey is YKHNIFREKWGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4,15-16H,2-3,5-14H2,1H3.
What are the key properties of tetradec-1-enyl prop-2-enoate?
tetradec-1-enyl prop-2-enoate has a molecular weight of 266.43 g/mol, XLogP of 5.54, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-1-enyl prop-2-enoate is sourced from PubChem (CID 140580779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).