2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate

C10H12O5 — CID 19937714

IUPAC2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC#CCOC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H12O5/c1-4-5-14-10(12)15-7-6-13-9(11)8(2)3/h1H,2,5-7H2,3H3
InChIKeyJPHLEXUVXZLMIW-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.89
Rot. Bonds5

About 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate

2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate (PubChem CID 19937714) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate
PubChem CID19937714
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC#CCOC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H12O5/c1-4-5-14-10(12)15-7-6-13-9(11)8(2)3/h1H,2,5-7H2,3H3
InChIKeyJPHLEXUVXZLMIW-UHFFFAOYSA-N
XLogP0.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-ethynoxyethyl 2-methylprop-2-enoate
CID 87755893
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate (CID 19937714) is 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate is C#CCOC(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate?
The InChIKey is JPHLEXUVXZLMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-4-5-14-10(12)15-7-6-13-9(11)8(2)3/h1H,2,5-7H2,3H3.
What are the key properties of 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate?
2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate has a molecular weight of 212.20 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxycarbonyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19937714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).