prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate

C16H28O5 — CID 155110215

IUPACprop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate
SMILESC=CCOC(=O)CCC(C)(C)OCC(C)(C)OCC(C)=O
InChIInChI=1S/C16H28O5/c1-7-10-19-14(18)8-9-15(3,4)21-12-16(5,6)20-11-13(2)17/h7H,1,8-12H2,2-6H3
InChIKeyDJWHAYOUEMBJDJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.68
Rot. Bonds11

About prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate

prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate (PubChem CID 155110215) has the molecular formula C16H28O5 and a molecular weight of 300.40 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate
PubChem CID155110215
Molecular FormulaC16H28O5
Molecular Weight300.40 g/mol
Exact Mass300.19
IUPAC Nameprop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate
SMILESC=CCOC(=O)CCC(C)(C)OCC(C)(C)OCC(C)=O
InChIInChI=1S/C16H28O5/c1-7-10-19-14(18)8-9-15(3,4)21-12-16(5,6)20-11-13(2)17/h7H,1,8-12H2,2-6H3
InChIKeyDJWHAYOUEMBJDJ-UHFFFAOYSA-N
XLogP2.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 5-O-prop-2-enyl 2,4,4-trimethyl-2-prop-2-enoxypentanedioate
CID 59620842
(3-Methyl-2-oxooxolan-3-yl) 2,2,4-trimethyl-4-prop-2-enoyloxypentanoate
CID 68338190
Prop-2-enyl 2-[2,5-dimethyl-5-(2-oxo-2-prop-2-enoxyacetyl)peroxyhexan-2-yl]peroxy-2-oxoacetate
CID 88223342
Ethenyl 2-methyl-2-prop-2-enoyloxypentanoate
CID 141240720
4-Hydroxy-2-methyl-2-prop-2-enoxypentanoic acid
CID 174783969
Prop-2-enyl 2-ethoxy-4-methylpentanoate
CID 174791279
4-Methoxy-2,4-dimethyl-2-prop-2-enoxypentanoic acid
CID 114989135
2-But-2-enoxy-4-methoxy-2,4-dimethylpentanoic acid
CID 115000888

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate?
The IUPAC name of prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate (CID 155110215) is prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate.
What is the SMILES notation for prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate?
The canonical SMILES for prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate is C=CCOC(=O)CCC(C)(C)OCC(C)(C)OCC(C)=O.
What is the InChIKey of prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate?
The InChIKey is DJWHAYOUEMBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5/c1-7-10-19-14(18)8-9-15(3,4)21-12-16(5,6)20-11-13(2)17/h7H,1,8-12H2,2-6H3.
What are the key properties of prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate?
prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate has a molecular weight of 300.40 g/mol, XLogP of 2.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-4-[2-methyl-2-(2-oxopropoxy)propoxy]pentanoate is sourced from PubChem (CID 155110215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).