(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane

C8H13IO2 — CID 135018635

IUPAC(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@](C)(/C=C/I)O1
InChIInChI=1S/C8H13IO2/c1-7(2)10-6-8(3,11-7)4-5-9/h4-5H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyZWTCWXBCVJMHCS-WTSVBCDHSA-N
MW268.09 g/mol
LogP2.48
Rot. Bonds1

About (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane

(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane (PubChem CID 135018635) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane
PubChem CID135018635
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@](C)(/C=C/I)O1
InChIInChI=1S/C8H13IO2/c1-7(2)10-6-8(3,11-7)4-5-9/h4-5H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyZWTCWXBCVJMHCS-WTSVBCDHSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane with MolForge

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Related Compounds

(4R,5R)-4-ethenyl-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
CID 60172252
(4S)-4-ethenyl-4-methyl-1,3-dioxolane
CID 134950069
(4R)-4-ethenyl-2,2,4,5-tetramethyl-1,3-dioxolane
CID 137286752
4-Ethenyl-4-(ethoxymethyl)-1,3-dioxolan-2-one
CID 18353943
2-Ethenyl-2,4,4-trimethyl-1,3-dioxolane
CID 69532445
4-Ethenyl-2,2,4-trimethyl-1,3-dioxolane
CID 69533068
1,3-Dioxolane, 2-ethyl-2,4-dimethyl-4-vinyl-
CID 89178962
4-Ethenyl-2,2,4-trimethyl-5-methylidene-1,3-dioxolane
CID 123617738
4-Ethenyl-4-methyl-1,3-dioxolane
CID 152673967
(4R,5S)-4-ethenyl-5-[(Z)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
CID 10540669
(4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
CID 10588789
(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane
CID 10923993

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane (CID 135018635) is (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane is CC1(C)OC[C@@](C)(/C=C/I)O1.
What is the InChIKey of (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is ZWTCWXBCVJMHCS-WTSVBCDHSA-N. The full InChI is InChI=1S/C8H13IO2/c1-7(2)10-6-8(3,11-7)4-5-9/h4-5H,6H2,1-3H3/b5-4+/t8-/m1/s1.
What are the key properties of (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane?
(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 268.09 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 135018635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).