2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane

C9H17IO2 — CID 11437564

IUPAC2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane
SMILESCC(I)CC1OCC(C)(C)CO1
InChIInChI=1S/C9H17IO2/c1-7(10)4-8-11-5-9(2,3)6-12-8/h7-8H,4-6H2,1-3H3
InChIKeyRNYXXCPNEXDTDV-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.60
Rot. Bonds2

About 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane

2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 11437564) has the molecular formula C9H17IO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane
PubChem CID11437564
Molecular FormulaC9H17IO2
Molecular Weight284.14 g/mol
Exact Mass284.03
IUPAC Name2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane
SMILESCC(I)CC1OCC(C)(C)CO1
InChIInChI=1S/C9H17IO2/c1-7(10)4-8-11-5-9(2,3)6-12-8/h7-8H,4-6H2,1-3H3
InChIKeyRNYXXCPNEXDTDV-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.60
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'}

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Related Compounds

2-(2,6-dimethylheptyl)-5,5-dimethyl-1,3-dioxane
CID 90239347
5,5-dimethyl-2-(2-methylprop-2-enyl)-1,3-dioxane
CID 56635337
3,3-dimethyl-2-(2-methylpropyl)oxetane
CID 171398553
N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine
CID 141342670
5,5-dimethyl-2-propan-2-yloxane;ethane
CID 142101718
4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoic acid
CID 14588439
2-(1-chlorobut-2-enyl)-5,5-dimethyl-1,3-dioxane
CID 172694094
methyl 2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-hydroxybutanoate
CID 74317113
[3-bromo-6-(5,5-dimethyl-1,3-dioxan-2-yl)hex-1-ynyl]-tri(propan-2-yl)silane
CID 166637290
2-ethoxy-5,5-dimethyl-1,3-dioxane
CID 11137431
(Z)-1-N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]but-1-en-3-yne-1,2-diamine
CID 164857139
1-chloro-5-(5,5-dimethyl-1,3-dioxan-2-yl)pentan-2-ol;2-ethenyl-5,5-dimethyl-1,3-dioxane
CID 21275773

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane (CID 11437564) is 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane is CC(I)CC1OCC(C)(C)CO1.
What is the InChIKey of 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is RNYXXCPNEXDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO2/c1-7(10)4-8-11-5-9(2,3)6-12-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane?
2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 284.14 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 11437564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).