6-methyltetradecyl prop-2-enoate

C18H34O2 — CID 87169125

IUPAC6-methyltetradecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC(C)CCCCCCCC
InChIInChI=1S/C18H34O2/c1-4-6-7-8-9-11-14-17(3)15-12-10-13-16-20-18(19)5-2/h5,17H,2,4,6-16H2,1,3H3
InChIKeyCLXOYGIQVIZURW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds14

About 6-methyltetradecyl prop-2-enoate

6-methyltetradecyl prop-2-enoate (PubChem CID 87169125) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 6-methyltetradecyl prop-2-enoate.

Molecular Properties

Compound Name6-methyltetradecyl prop-2-enoate
PubChem CID87169125
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name6-methyltetradecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCC(C)CCCCCCCC
InChIInChI=1S/C18H34O2/c1-4-6-7-8-9-11-14-17(3)15-12-10-13-16-20-18(19)5-2/h5,17H,2,4,6-16H2,1,3H3
InChIKeyCLXOYGIQVIZURW-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.66
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

7-methyltridecyl prop-2-enoate
CID 139834261
6-methylnonyl prop-2-enoate
CID 21298968
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of 6-methyltetradecyl prop-2-enoate?
The IUPAC name of 6-methyltetradecyl prop-2-enoate (CID 87169125) is 6-methyltetradecyl prop-2-enoate.
What is the SMILES notation for 6-methyltetradecyl prop-2-enoate?
The canonical SMILES for 6-methyltetradecyl prop-2-enoate is C=CC(=O)OCCCCCC(C)CCCCCCCC.
What is the InChIKey of 6-methyltetradecyl prop-2-enoate?
The InChIKey is CLXOYGIQVIZURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-6-7-8-9-11-14-17(3)15-12-10-13-16-20-18(19)5-2/h5,17H,2,4,6-16H2,1,3H3.
What are the key properties of 6-methyltetradecyl prop-2-enoate?
6-methyltetradecyl prop-2-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltetradecyl prop-2-enoate is sourced from PubChem (CID 87169125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).