2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane

C9H17IO2 — CID 20634644

IUPAC2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane
SMILESCC(C)C(CI)CC1OCCO1
InChIInChI=1S/C9H17IO2/c1-7(2)8(6-10)5-9-11-3-4-12-9/h7-9H,3-6H2,1-2H3
InChIKeyOLOFKAZZCMRMSZ-UHFFFAOYSA-N
MW284.14 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane

2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane (PubChem CID 20634644) has the molecular formula C9H17IO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane
PubChem CID20634644
Molecular FormulaC9H17IO2
Molecular Weight284.14 g/mol
Exact Mass284.03
IUPAC Name2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane
SMILESCC(C)C(CI)CC1OCCO1
InChIInChI=1S/C9H17IO2/c1-7(2)8(6-10)5-9-11-3-4-12-9/h7-9H,3-6H2,1-2H3
InChIKeyOLOFKAZZCMRMSZ-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane (CID 20634644) is 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane is CC(C)C(CI)CC1OCCO1.
What is the InChIKey of 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane?
The InChIKey is OLOFKAZZCMRMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO2/c1-7(2)8(6-10)5-9-11-3-4-12-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane?
2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane has a molecular weight of 284.14 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane is sourced from PubChem (CID 20634644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).