10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate

C19H32O3 — CID 176866150

IUPAC10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=C)OCCCCCCCCCCOC(=O)C(=C)C
InChIInChI=1S/C19H32O3/c1-16(2)18(5)21-14-12-10-8-6-7-9-11-13-15-22-19(20)17(3)4/h1,3,5-15H2,2,4H3
InChIKeyPGYSUIUSARCODW-UHFFFAOYSA-N
MW308.46 g/mol
LogP5.33
Rot. Bonds14

About 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate

10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate (PubChem CID 176866150) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
PubChem CID176866150
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=C)OCCCCCCCCCCOC(=O)C(=C)C
InChIInChI=1S/C19H32O3/c1-16(2)18(5)21-14-12-10-8-6-7-9-11-13-15-22-19(20)17(3)4/h1,3,5-15H2,2,4H3
InChIKeyPGYSUIUSARCODW-UHFFFAOYSA-N
XLogP5.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
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
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
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
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate?
The IUPAC name of 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate (CID 176866150) is 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate?
The canonical SMILES for 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate is C=C(C)C(=C)OCCCCCCCCCCOC(=O)C(=C)C.
What is the InChIKey of 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate?
The InChIKey is PGYSUIUSARCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-16(2)18(5)21-14-12-10-8-6-7-9-11-13-15-22-19(20)17(3)4/h1,3,5-15H2,2,4H3.
What are the key properties of 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate?
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate has a molecular weight of 308.46 g/mol, XLogP of 5.33, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 176866150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).