2-butyldodecyl prop-2-enoate

C19H36O2 — CID 141303705

IUPAC2-butyldodecyl prop-2-enoate
SMILESC=CC(=O)OCC(CCCC)CCCCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-7-9-10-11-12-13-14-16-18(15-8-5-2)17-21-19(20)6-3/h6,18H,3-5,7-17H2,1-2H3
InChIKeyWGNGTWYPJFZMLZ-UHFFFAOYSA-N
MW296.49 g/mol
LogP6.05
Rot. Bonds15

About 2-butyldodecyl prop-2-enoate

2-butyldodecyl prop-2-enoate (PubChem CID 141303705) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 2-butyldodecyl prop-2-enoate.

Molecular Properties

Compound Name2-butyldodecyl prop-2-enoate
PubChem CID141303705
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name2-butyldodecyl prop-2-enoate
SMILESC=CC(=O)OCC(CCCC)CCCCCCCCCC
InChIInChI=1S/C19H36O2/c1-4-7-9-10-11-12-13-14-16-18(15-8-5-2)17-21-19(20)6-3/h6,18H,3-5,7-17H2,1-2H3
InChIKeyWGNGTWYPJFZMLZ-UHFFFAOYSA-N
XLogP6.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 56.05
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

2-octyldecyl prop-2-enoate
CID 71353023
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-(prop-2-enoxymethyl)octadecyl prop-2-enoate
CID 171774458
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
bis(2-hexyldecyl) (E)-but-2-enedioate
CID 6366024
bis(2-propylheptyl) (Z)-but-2-enedioate
CID 87108020
3-hexylnonyl prop-2-enoate;4-nonyltridecyl prop-2-enoate;4-octyltridecyl prop-2-enoate;3-pentyldecyl prop-2-enoate
CID 159209362
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
2-cyanooctyl prop-2-enoate
CID 155665658
2-(dimethylamino)octyl prop-2-enoate
CID 86745027
2-butyloctyl carbamate
CID 22099120

Frequently Asked Questions

What is the IUPAC name of 2-butyldodecyl prop-2-enoate?
The IUPAC name of 2-butyldodecyl prop-2-enoate (CID 141303705) is 2-butyldodecyl prop-2-enoate.
What is the SMILES notation for 2-butyldodecyl prop-2-enoate?
The canonical SMILES for 2-butyldodecyl prop-2-enoate is C=CC(=O)OCC(CCCC)CCCCCCCCCC.
What is the InChIKey of 2-butyldodecyl prop-2-enoate?
The InChIKey is WGNGTWYPJFZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-4-7-9-10-11-12-13-14-16-18(15-8-5-2)17-21-19(20)6-3/h6,18H,3-5,7-17H2,1-2H3.
What are the key properties of 2-butyldodecyl prop-2-enoate?
2-butyldodecyl prop-2-enoate has a molecular weight of 296.49 g/mol, XLogP of 6.05, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyldodecyl prop-2-enoate is sourced from PubChem (CID 141303705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).