4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane

C11H21IO2 — CID 130358748

IUPAC4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane
SMILESCC[C@H](C)CC1(C)OCC(CCI)O1
InChIInChI=1S/C11H21IO2/c1-4-9(2)7-11(3)13-8-10(14-11)5-6-12/h9-10H,4-8H2,1-3H3/t9-,10?,11?/m0/s1
InChIKeyWPVMOZFOHJPFQV-WHXUTIOJSA-N
MW312.19 g/mol
LogP3.38
Rot. Bonds5

About 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane

4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane (PubChem CID 130358748) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane
PubChem CID130358748
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane
SMILESCC[C@H](C)CC1(C)OCC(CCI)O1
InChIInChI=1S/C11H21IO2/c1-4-9(2)7-11(3)13-8-10(14-11)5-6-12/h9-10H,4-8H2,1-3H3/t9-,10?,11?/m0/s1
InChIKeyWPVMOZFOHJPFQV-WHXUTIOJSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.38
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 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane?
The IUPAC name of 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane (CID 130358748) is 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane.
What is the SMILES notation for 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane?
The canonical SMILES for 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane is CC[C@H](C)CC1(C)OCC(CCI)O1.
What is the InChIKey of 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane?
The InChIKey is WPVMOZFOHJPFQV-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H21IO2/c1-4-9(2)7-11(3)13-8-10(14-11)5-6-12/h9-10H,4-8H2,1-3H3/t9-,10?,11?/m0/s1.
What are the key properties of 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane?
4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane has a molecular weight of 312.19 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane is sourced from PubChem (CID 130358748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).