oxolan-2-ylmethyl 2-iodoprop-2-enoate

C8H11IO3 — CID 71551537

IUPACoxolan-2-ylmethyl 2-iodoprop-2-enoate
SMILESC=C(I)C(=O)OCC1CCCO1
InChIInChI=1S/C8H11IO3/c1-6(9)8(10)12-5-7-3-2-4-11-7/h7H,1-5H2
InChIKeyGNQSBVHLRFBLIV-UHFFFAOYSA-N
MW282.08 g/mol
LogP1.66
Rot. Bonds3

About oxolan-2-ylmethyl 2-iodoprop-2-enoate

oxolan-2-ylmethyl 2-iodoprop-2-enoate (PubChem CID 71551537) has the molecular formula C8H11IO3 and a molecular weight of 282.08 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-iodoprop-2-enoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-iodoprop-2-enoate
PubChem CID71551537
Molecular FormulaC8H11IO3
Molecular Weight282.08 g/mol
Exact Mass281.98
IUPAC Nameoxolan-2-ylmethyl 2-iodoprop-2-enoate
SMILESC=C(I)C(=O)OCC1CCCO1
InChIInChI=1S/C8H11IO3/c1-6(9)8(10)12-5-7-3-2-4-11-7/h7H,1-5H2
InChIKeyGNQSBVHLRFBLIV-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 66662121
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
CID 69398677
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
[(2R)-oxolan-2-yl]methyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 100762559

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-iodoprop-2-enoate?
The IUPAC name of oxolan-2-ylmethyl 2-iodoprop-2-enoate (CID 71551537) is oxolan-2-ylmethyl 2-iodoprop-2-enoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-iodoprop-2-enoate?
The canonical SMILES for oxolan-2-ylmethyl 2-iodoprop-2-enoate is C=C(I)C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-iodoprop-2-enoate?
The InChIKey is GNQSBVHLRFBLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IO3/c1-6(9)8(10)12-5-7-3-2-4-11-7/h7H,1-5H2.
What are the key properties of oxolan-2-ylmethyl 2-iodoprop-2-enoate?
oxolan-2-ylmethyl 2-iodoprop-2-enoate has a molecular weight of 282.08 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-iodoprop-2-enoate is sourced from PubChem (CID 71551537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).