(3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane

C7H11IO2 — CID 14417006

IUPAC(3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane
SMILESC=CC[C@@H]1COO[C@H]1CI
InChIInChI=1S/C7H11IO2/c1-2-3-6-5-9-10-7(6)4-8/h2,6-7H,1,3-5H2/t6-,7+/m1/s1
InChIKeyIFBPJIFJVLGMPL-RQJHMYQMSA-N
MW254.07 g/mol
LogP1.94
Rot. Bonds3

About (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane

(3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane (PubChem CID 14417006) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane.

Molecular Properties

Compound Name(3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane
PubChem CID14417006
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name(3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane
SMILESC=CC[C@@H]1COO[C@H]1CI
InChIInChI=1S/C7H11IO2/c1-2-3-6-5-9-10-7(6)4-8/h2,6-7H,1,3-5H2/t6-,7+/m1/s1
InChIKeyIFBPJIFJVLGMPL-RQJHMYQMSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-methyl-4-prop-2-enyldioxolane
CID 14417010
bromo-[[(3S,4S)-4-prop-2-enyldioxolan-3-yl]methyl]mercury
CID 21728205
bromo-[[(3S,4R)-4-prop-2-enyldioxolan-3-yl]methyl]mercury
CID 21728206

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane?
The IUPAC name of (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane (CID 14417006) is (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane.
What is the SMILES notation for (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane?
The canonical SMILES for (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane is C=CC[C@@H]1COO[C@H]1CI.
What is the InChIKey of (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane?
The InChIKey is IFBPJIFJVLGMPL-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H11IO2/c1-2-3-6-5-9-10-7(6)4-8/h2,6-7H,1,3-5H2/t6-,7+/m1/s1.
What are the key properties of (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane?
(3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane has a molecular weight of 254.07 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(iodomethyl)-4-prop-2-enyldioxolane is sourced from PubChem (CID 14417006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).