tetradecyl 2-chloroprop-2-enoate

C17H31ClO2 — CID 54118378

IUPACtetradecyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h2-15H2,1H3
InChIKeyNLXUPWYYMHOABJ-UHFFFAOYSA-N
MW302.89 g/mol
LogP5.98
Rot. Bonds14

About tetradecyl 2-chloroprop-2-enoate

tetradecyl 2-chloroprop-2-enoate (PubChem CID 54118378) has the molecular formula C17H31ClO2 and a molecular weight of 302.89 g/mol. Its IUPAC name is tetradecyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Nametetradecyl 2-chloroprop-2-enoate
PubChem CID54118378
Molecular FormulaC17H31ClO2
Molecular Weight302.89 g/mol
Exact Mass302.20
IUPAC Nametetradecyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C17H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h2-15H2,1H3
InChIKeyNLXUPWYYMHOABJ-UHFFFAOYSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.89
LogP ≤ 55.98
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

dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
ditridecyl oxalate
CID 18377796
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
tetradecyl 2-sulfanylprop-2-enoate
CID 150466846
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-chloroprop-2-enoate?
The IUPAC name of tetradecyl 2-chloroprop-2-enoate (CID 54118378) is tetradecyl 2-chloroprop-2-enoate.
What is the SMILES notation for tetradecyl 2-chloroprop-2-enoate?
The canonical SMILES for tetradecyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-chloroprop-2-enoate?
The InChIKey is NLXUPWYYMHOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h2-15H2,1H3.
What are the key properties of tetradecyl 2-chloroprop-2-enoate?
tetradecyl 2-chloroprop-2-enoate has a molecular weight of 302.89 g/mol, XLogP of 5.98, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-chloroprop-2-enoate is sourced from PubChem (CID 54118378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).