2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane

C10H19IO2 — CID 10990159

IUPAC2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
SMILESC[C@H](CCCI)CC1(C)OCCO1
InChIInChI=1S/C10H19IO2/c1-9(4-3-5-11)8-10(2)12-6-7-13-10/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyUXWJOWPHNZEQLH-SECBINFHSA-N
MW298.16 g/mol
LogP2.99
Rot. Bonds5

About 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane

2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane (PubChem CID 10990159) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
PubChem CID10990159
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
SMILESC[C@H](CCCI)CC1(C)OCCO1
InChIInChI=1S/C10H19IO2/c1-9(4-3-5-11)8-10(2)12-6-7-13-10/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyUXWJOWPHNZEQLH-SECBINFHSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.99
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

(6R)-6-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptanal
CID 11745985
methyl (3R,8R)-3-hydroxy-8-methyl-9-(2-methyl-1,3-dioxolan-2-yl)nonanoate
CID 10401850
2-methyl-2-(3-methylpentyl)-1,3-dioxolane
CID 13315713
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
CID 86098194
2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 13347477
3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
2,5,5-trimethyl-2-(2-methylbutyl)-1,3-dioxane
CID 129172366
1,32-diiodo-3,7,11,15,18,22,26,30-octamethyldotriacontane
CID 71342609
4-(2-methyl-1,3-dioxolan-2-yl)-3-nitrobutan-2-ol
CID 13303205
1-[(1S,2S)-2-methylcyclopropyl]-3-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
CID 97091703
2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid
CID 70994716

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane (CID 10990159) is 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane is C[C@H](CCCI)CC1(C)OCCO1.
What is the InChIKey of 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane?
The InChIKey is UXWJOWPHNZEQLH-SECBINFHSA-N. The full InChI is InChI=1S/C10H19IO2/c1-9(4-3-5-11)8-10(2)12-6-7-13-10/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane?
2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane has a molecular weight of 298.16 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10990159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).