2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane

C12H21IO2 — CID 10936222

IUPAC2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane
SMILESC=C(C)[C@@H](CCI)CCC1(C)OCCO1
InChIInChI=1S/C12H21IO2/c1-10(2)11(5-7-13)4-6-12(3)14-8-9-15-12/h11H,1,4-9H2,2-3H3/t11-/m1/s1
InChIKeyYOTFCEBDBBKYCV-LLVKDONJSA-N
MW324.20 g/mol
LogP3.55
Rot. Bonds6

About 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane

2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane (PubChem CID 10936222) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane
PubChem CID10936222
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane
SMILESC=C(C)[C@@H](CCI)CCC1(C)OCCO1
InChIInChI=1S/C12H21IO2/c1-10(2)11(5-7-13)4-6-12(3)14-8-9-15-12/h11H,1,4-9H2,2-3H3/t11-/m1/s1
InChIKeyYOTFCEBDBBKYCV-LLVKDONJSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane (CID 10936222) is 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane is C=C(C)[C@@H](CCI)CCC1(C)OCCO1.
What is the InChIKey of 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is YOTFCEBDBBKYCV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21IO2/c1-10(2)11(5-7-13)4-6-12(3)14-8-9-15-12/h11H,1,4-9H2,2-3H3/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane?
2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 324.20 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-iodoethyl)-4-methylpent-4-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10936222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).