(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one

C9H13IO2 — CID 102025085

IUPAC(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one
SMILESC/C=C(\I)[C@@H]1OC(=O)C[C@H]1CC
InChIInChI=1S/C9H13IO2/c1-3-6-5-8(11)12-9(6)7(10)4-2/h4,6,9H,3,5H2,1-2H3/b7-4-/t6-,9-/m1/s1
InChIKeySJGMURDFMGTCSC-SJNNWYEASA-N
MW280.10 g/mol
LogP2.67
Rot. Bonds2

About (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one

(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one (PubChem CID 102025085) has the molecular formula C9H13IO2 and a molecular weight of 280.10 g/mol. Its IUPAC name is (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one
PubChem CID102025085
Molecular FormulaC9H13IO2
Molecular Weight280.10 g/mol
Exact Mass280.00
IUPAC Name(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one
SMILESC/C=C(\I)[C@@H]1OC(=O)C[C@H]1CC
InChIInChI=1S/C9H13IO2/c1-3-6-5-8(11)12-9(6)7(10)4-2/h4,6,9H,3,5H2,1-2H3/b7-4-/t6-,9-/m1/s1
InChIKeySJGMURDFMGTCSC-SJNNWYEASA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-(iodomethyl)oxolan-2-one
CID 102016789
(4R)-4-ethyloxetan-2-one
CID 14325240
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
6-ethyl-4-hydroxyoxan-2-one
CID 20679563
5-hydroxy-4-propyloxolan-2-one
CID 23531071
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
(2R,3R)-3-(carboxylatomethyl)-5-oxooxolane-2-carboxylate
CID 7054787
(4S,6R)-6-ethyl-4-methyloxan-2-one
CID 90453462
5-acetyl-4-methyloxolan-2-one
CID 14713998
(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
5-methyl-4-prop-2-enyloxolan-2-one
CID 14489431
(2R,3S)-3-ethoxy-5-oxooxolane-2-carboxamide
CID 68539806

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one?
The IUPAC name of (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one (CID 102025085) is (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one.
What is the SMILES notation for (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one?
The canonical SMILES for (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one is C/C=C(\I)[C@@H]1OC(=O)C[C@H]1CC.
What is the InChIKey of (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one?
The InChIKey is SJGMURDFMGTCSC-SJNNWYEASA-N. The full InChI is InChI=1S/C9H13IO2/c1-3-6-5-8(11)12-9(6)7(10)4-2/h4,6,9H,3,5H2,1-2H3/b7-4-/t6-,9-/m1/s1.
What are the key properties of (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one?
(4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one has a molecular weight of 280.10 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethyl-5-[(Z)-1-iodoprop-1-enyl]oxolan-2-one is sourced from PubChem (CID 102025085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).