2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane

C13H17IO2 — CID 151760345

IUPAC2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane
SMILESCCC1(CC)OCC(c2ccccc2I)O1
InChIInChI=1S/C13H17IO2/c1-3-13(4-2)15-9-12(16-13)10-7-5-6-8-11(10)14/h5-8,12H,3-4,9H2,1-2H3
InChIKeyRQKUIBMXXJWHMQ-UHFFFAOYSA-N
MW332.18 g/mol
LogP3.90
Rot. Bonds3

About 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane

2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane (PubChem CID 151760345) has the molecular formula C13H17IO2 and a molecular weight of 332.18 g/mol. Its IUPAC name is 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane
PubChem CID151760345
Molecular FormulaC13H17IO2
Molecular Weight332.18 g/mol
Exact Mass332.03
IUPAC Name2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane
SMILESCCC1(CC)OCC(c2ccccc2I)O1
InChIInChI=1S/C13H17IO2/c1-3-13(4-2)15-9-12(16-13)10-7-5-6-8-11(10)14/h5-8,12H,3-4,9H2,1-2H3
InChIKeyRQKUIBMXXJWHMQ-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 53.90
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

2-[(4S,5R)-2,2-diethyl-4-(2-fluorophenyl)-1,3-dioxan-5-yl]acetaldehyde
CID 18601480
4-[(2-chlorophenyl)methyl]-2,2-diethyl-1,3-dioxolane
CID 158961736
methyl (4S,5R)-2,2-diethyl-5-(2-iodophenyl)-1,3-dioxolane-4-carboxylate
CID 90019177
methyl (4R,5S)-2,2-diethyl-5-(2-iodophenyl)-1,3-dioxolane-4-carboxylate
CID 118151787
3-(2-iodophenyl)oxetane
CID 73425043
2-ethyl-2-(2-iodophenyl)-1,3-dioxole
CID 141067062
2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
CID 117347005
2-benzyl-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 82778660
(4R)-4-[(Z)-2-(benzenesulfonyl)ethenyl]-2,2-diethyl-1,3-dioxolane
CID 11120018
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
CID 117345071
3-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanal
CID 117340421
1-[[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117374015

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane?
The IUPAC name of 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane (CID 151760345) is 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane?
The canonical SMILES for 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane is CCC1(CC)OCC(c2ccccc2I)O1.
What is the InChIKey of 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane?
The InChIKey is RQKUIBMXXJWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IO2/c1-3-13(4-2)15-9-12(16-13)10-7-5-6-8-11(10)14/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane?
2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane has a molecular weight of 332.18 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(2-iodophenyl)-1,3-dioxolane is sourced from PubChem (CID 151760345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).