8-propyltetradecyl 2-methylprop-2-enoate

C21H40O2 — CID 156690480

IUPAC8-propyltetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC(CCC)CCCCCC
InChIInChI=1S/C21H40O2/c1-5-7-8-12-16-20(15-6-2)17-13-10-9-11-14-18-23-21(22)19(3)4/h20H,3,5-18H2,1-2,4H3
InChIKeyWYVVQUANSNGKPH-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.83
Rot. Bonds16

About 8-propyltetradecyl 2-methylprop-2-enoate

8-propyltetradecyl 2-methylprop-2-enoate (PubChem CID 156690480) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 8-propyltetradecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-propyltetradecyl 2-methylprop-2-enoate
PubChem CID156690480
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name8-propyltetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC(CCC)CCCCCC
InChIInChI=1S/C21H40O2/c1-5-7-8-12-16-20(15-6-2)17-13-10-9-11-14-18-23-21(22)19(3)4/h20H,3,5-18H2,1-2,4H3
InChIKeyWYVVQUANSNGKPH-UHFFFAOYSA-N
XLogP6.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.83
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

5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
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
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
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
9-propylheptadec-14-enyl 2-methylprop-2-enoate
CID 118117624
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
methane;nonyl 2-methylprop-2-enoate
CID 174847930
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170

Frequently Asked Questions

What is the IUPAC name of 8-propyltetradecyl 2-methylprop-2-enoate?
The IUPAC name of 8-propyltetradecyl 2-methylprop-2-enoate (CID 156690480) is 8-propyltetradecyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-propyltetradecyl 2-methylprop-2-enoate?
The canonical SMILES for 8-propyltetradecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCC(CCC)CCCCCC.
What is the InChIKey of 8-propyltetradecyl 2-methylprop-2-enoate?
The InChIKey is WYVVQUANSNGKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-5-7-8-12-16-20(15-6-2)17-13-10-9-11-14-18-23-21(22)19(3)4/h20H,3,5-18H2,1-2,4H3.
What are the key properties of 8-propyltetradecyl 2-methylprop-2-enoate?
8-propyltetradecyl 2-methylprop-2-enoate has a molecular weight of 324.55 g/mol, XLogP of 6.83, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyltetradecyl 2-methylprop-2-enoate is sourced from PubChem (CID 156690480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).