2-(9-oxodecoxy)propyl 2-methylprop-2-enoate

C17H30O4 — CID 177296525

IUPAC2-(9-oxodecoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OCCCCCCCCC(C)=O
InChIInChI=1S/C17H30O4/c1-14(2)17(19)21-13-16(4)20-12-10-8-6-5-7-9-11-15(3)18/h16H,1,5-13H2,2-4H3
InChIKeyIWIOTIQHAMDERO-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.83
Rot. Bonds13

About 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate

2-(9-oxodecoxy)propyl 2-methylprop-2-enoate (PubChem CID 177296525) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(9-oxodecoxy)propyl 2-methylprop-2-enoate
PubChem CID177296525
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name2-(9-oxodecoxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OCCCCCCCCC(C)=O
InChIInChI=1S/C17H30O4/c1-14(2)17(19)21-13-16(4)20-12-10-8-6-5-7-9-11-15(3)18/h16H,1,5-13H2,2-4H3
InChIKeyIWIOTIQHAMDERO-UHFFFAOYSA-N
XLogP3.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
1-(2-methylprop-2-enoyloxy)propan-2-yl docosanoate
CID 139616268
6-octan-2-yloxyhexan-2-one
CID 43793687
2-tetradecoxypropyl tetradecanoate
CID 170841381
propan-2-yl 7-(2-methylprop-2-enoyloxy)heptanoate
CID 58298977
7-(2-methylpropoxy)heptan-2-one
CID 170366767
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
14-(2-methylprop-2-enoyloxy)tetradecanoic acid
CID 139687613
9-(2-methylprop-2-enoyloxy)nonanoic acid
CID 58887171

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate (CID 177296525) is 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OCCCCCCCCC(C)=O.
What is the InChIKey of 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate?
The InChIKey is IWIOTIQHAMDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-14(2)17(19)21-13-16(4)20-12-10-8-6-5-7-9-11-15(3)18/h16H,1,5-13H2,2-4H3.
What are the key properties of 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate?
2-(9-oxodecoxy)propyl 2-methylprop-2-enoate has a molecular weight of 298.42 g/mol, XLogP of 3.83, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxodecoxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 177296525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).