2-(tripropoxymethyl)decyl 2-methylprop-2-enoate

C24H46O5 — CID 151527523

IUPAC2-(tripropoxymethyl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)C(OCCC)(OCCC)OCCC
InChIInChI=1S/C24H46O5/c1-7-11-12-13-14-15-16-22(20-26-23(25)21(5)6)24(27-17-8-2,28-18-9-3)29-19-10-4/h22H,5,7-20H2,1-4,6H3
InChIKeyPVTWISZOBMLBHY-UHFFFAOYSA-N
MW414.63 g/mol
LogP6.41
Rot. Bonds20

About 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate

2-(tripropoxymethyl)decyl 2-methylprop-2-enoate (PubChem CID 151527523) has the molecular formula C24H46O5 and a molecular weight of 414.63 g/mol. Its IUPAC name is 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(tripropoxymethyl)decyl 2-methylprop-2-enoate
PubChem CID151527523
Molecular FormulaC24H46O5
Molecular Weight414.63 g/mol
Exact Mass414.33
IUPAC Name2-(tripropoxymethyl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)C(OCCC)(OCCC)OCCC
InChIInChI=1S/C24H46O5/c1-7-11-12-13-14-15-16-22(20-26-23(25)21(5)6)24(27-17-8-2,28-18-9-3)29-19-10-4/h22H,5,7-20H2,1-4,6H3
InChIKeyPVTWISZOBMLBHY-UHFFFAOYSA-N
XLogP6.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate
CID 150853964
2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
CID 150627541
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
4-(3-ethylpentan-3-yl)dodecyl 2-methylprop-2-enoate
CID 151684910
3-(2-bromopropan-2-yl)heptadecyl 2-methylprop-2-enoate
CID 141440085
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-cyanooctyl 2-methylprop-2-enoate
CID 139633451

Frequently Asked Questions

What is the IUPAC name of 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate?
The IUPAC name of 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate (CID 151527523) is 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCCCCCC)C(OCCC)(OCCC)OCCC.
What is the InChIKey of 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate?
The InChIKey is PVTWISZOBMLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O5/c1-7-11-12-13-14-15-16-22(20-26-23(25)21(5)6)24(27-17-8-2,28-18-9-3)29-19-10-4/h22H,5,7-20H2,1-4,6H3.
What are the key properties of 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate?
2-(tripropoxymethyl)decyl 2-methylprop-2-enoate has a molecular weight of 414.63 g/mol, XLogP of 6.41, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tripropoxymethyl)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 151527523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).