carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate

C11H19ClO6 — CID 161184072

IUPACcarbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCCCO.O=C(O)Cl
InChIInChI=1S/C10H18O4.CHClO2/c1-2-10(12)14-9-8-13-7-5-3-4-6-11;2-1(3)4/h2,11H,1,3-9H2;(H,3,4)
InChIKeyUSVWLKRKCFKMSK-UHFFFAOYSA-N
MW282.72 g/mol
LogP1.80
Rot. Bonds9

About carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate

carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate (PubChem CID 161184072) has the molecular formula C11H19ClO6 and a molecular weight of 282.72 g/mol. Its IUPAC name is carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Namecarbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate
PubChem CID161184072
Molecular FormulaC11H19ClO6
Molecular Weight282.72 g/mol
Exact Mass282.09
IUPAC Namecarbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCCCCO.O=C(O)Cl
InChIInChI=1S/C10H18O4.CHClO2/c1-2-10(12)14-9-8-13-7-5-3-4-6-11;2-1(3)4/h2,11H,1,3-9H2;(H,3,4)
InChIKeyUSVWLKRKCFKMSK-UHFFFAOYSA-N
XLogP1.80
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
11-hydroxyundecyl prop-2-enoate
CID 54223498
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate?
The IUPAC name of carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate (CID 161184072) is carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate.
What is the SMILES notation for carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate?
The canonical SMILES for carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCCCCCO.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate?
The InChIKey is USVWLKRKCFKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.CHClO2/c1-2-10(12)14-9-8-13-7-5-3-4-6-11;2-1(3)4/h2,11H,1,3-9H2;(H,3,4).
What are the key properties of carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate?
carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate has a molecular weight of 282.72 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;2-(5-hydroxypentoxy)ethyl prop-2-enoate is sourced from PubChem (CID 161184072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).