2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)

C16H34O7Ti+4 — CID 11257663

IUPAC2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
SMILESC=CC(=O)OCCOC(C)=O.CC(C)O.CC(C)O.CC(C)O.[Ti+4]
InChIInChI=1S/C7H10O4.3C3H8O.Ti/c1-3-7(9)11-5-4-10-6(2)8;3*1-3(2)4;/h3H,1,4-5H2,2H3;3*3-4H,1-2H3;/q;;;;+4
InChIKeyHTMBBNYVNGBPIB-UHFFFAOYSA-N
MW386.31 g/mol
LogP1.44
Rot. Bonds4

About 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)

2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+) (PubChem CID 11257663) has the molecular formula C16H34O7Ti+4 and a molecular weight of 386.31 g/mol. Its IUPAC name is 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+).

Molecular Properties

Compound Name2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
PubChem CID11257663
Molecular FormulaC16H34O7Ti+4
Molecular Weight386.31 g/mol
Exact Mass386.18
IUPAC Name2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
SMILESC=CC(=O)OCCOC(C)=O.CC(C)O.CC(C)O.CC(C)O.[Ti+4]
InChIInChI=1S/C7H10O4.3C3H8O.Ti/c1-3-7(9)11-5-4-10-6(2)8;3*1-3(2)4;/h3H,1,4-5H2,2H3;3*3-4H,1-2H3;/q;;;;+4
InChIKeyHTMBBNYVNGBPIB-UHFFFAOYSA-N
XLogP1.44
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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CID 161101194
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CID 10131189
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3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
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CID 57007921

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)?
The IUPAC name of 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+) (CID 11257663) is 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+).
What is the SMILES notation for 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)?
The canonical SMILES for 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+) is C=CC(=O)OCCOC(C)=O.CC(C)O.CC(C)O.CC(C)O.[Ti+4].
What is the InChIKey of 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)?
The InChIKey is HTMBBNYVNGBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.3C3H8O.Ti/c1-3-7(9)11-5-4-10-6(2)8;3*1-3(2)4;/h3H,1,4-5H2,2H3;3*3-4H,1-2H3;/q;;;;+4.
What are the key properties of 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)?
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+) has a molecular weight of 386.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+) is sourced from PubChem (CID 11257663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).