1-chlorododecyl prop-2-enoate;pyridine

C20H32ClNO2 — CID 146356185

IUPAC1-chlorododecyl prop-2-enoate;pyridine
SMILESC=CC(=O)OC(Cl)CCCCCCCCCCC.c1ccncc1
InChIInChI=1S/C15H27ClO2.C5H5N/c1-3-5-6-7-8-9-10-11-12-13-14(16)18-15(17)4-2;1-2-4-6-5-3-1/h4,14H,2-3,5-13H2,1H3;1-5H
InChIKeyKEESKQQAPJGYRX-UHFFFAOYSA-N
MW353.93 g/mol
LogP6.28
Rot. Bonds12

About 1-chlorododecyl prop-2-enoate;pyridine

1-chlorododecyl prop-2-enoate;pyridine (PubChem CID 146356185) has the molecular formula C20H32ClNO2 and a molecular weight of 353.93 g/mol. Its IUPAC name is 1-chlorododecyl prop-2-enoate;pyridine.

Molecular Properties

Compound Name1-chlorododecyl prop-2-enoate;pyridine
PubChem CID146356185
Molecular FormulaC20H32ClNO2
Molecular Weight353.93 g/mol
Exact Mass353.21
IUPAC Name1-chlorododecyl prop-2-enoate;pyridine
SMILESC=CC(=O)OC(Cl)CCCCCCCCCCC.c1ccncc1
InChIInChI=1S/C15H27ClO2.C5H5N/c1-3-5-6-7-8-9-10-11-12-13-14(16)18-15(17)4-2;1-2-4-6-5-3-1/h4,14H,2-3,5-13H2,1H3;1-5H
InChIKeyKEESKQQAPJGYRX-UHFFFAOYSA-N
XLogP6.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.93
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

heptadecan-8-yl prop-2-enoate
CID 121420657
1-prop-2-enoyloxyheptyl prop-2-enoate
CID 54470865
octadecan-6-yl prop-2-enoate
CID 91523695
1-prop-2-enoyloxydocosyl prop-2-enoate
CID 168863323
7-chlorohexadecane;pyridine
CID 67860983
1-hydroxyoctyl prop-2-enoate
CID 22340227
tridecan-5-yl prop-2-enoate
CID 141073146
1-chlorooctyl methyl carbonate
CID 88749433
1-(dimethylamino)decyl prop-2-enoate
CID 88815695
1-iodotridecyl prop-2-enoate
CID 90218413
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279

Frequently Asked Questions

What is the IUPAC name of 1-chlorododecyl prop-2-enoate;pyridine?
The IUPAC name of 1-chlorododecyl prop-2-enoate;pyridine (CID 146356185) is 1-chlorododecyl prop-2-enoate;pyridine.
What is the SMILES notation for 1-chlorododecyl prop-2-enoate;pyridine?
The canonical SMILES for 1-chlorododecyl prop-2-enoate;pyridine is C=CC(=O)OC(Cl)CCCCCCCCCCC.c1ccncc1.
What is the InChIKey of 1-chlorododecyl prop-2-enoate;pyridine?
The InChIKey is KEESKQQAPJGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClO2.C5H5N/c1-3-5-6-7-8-9-10-11-12-13-14(16)18-15(17)4-2;1-2-4-6-5-3-1/h4,14H,2-3,5-13H2,1H3;1-5H.
What are the key properties of 1-chlorododecyl prop-2-enoate;pyridine?
1-chlorododecyl prop-2-enoate;pyridine has a molecular weight of 353.93 g/mol, XLogP of 6.28, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorododecyl prop-2-enoate;pyridine is sourced from PubChem (CID 146356185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).