2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane

C12H21IO — CID 130688476

IUPAC2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane
SMILESCCC1(C2CCC2)CCC(C)(CI)O1
InChIInChI=1S/C12H21IO/c1-3-12(10-5-4-6-10)8-7-11(2,9-13)14-12/h10H,3-9H2,1-2H3
InChIKeyTZJMIMBQUGGBKH-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.94
Rot. Bonds3

About 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane

2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane (PubChem CID 130688476) has the molecular formula C12H21IO and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane
PubChem CID130688476
Molecular FormulaC12H21IO
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane
SMILESCCC1(C2CCC2)CCC(C)(CI)O1
InChIInChI=1S/C12H21IO/c1-3-12(10-5-4-6-10)8-7-11(2,9-13)14-12/h10H,3-9H2,1-2H3
InChIKeyTZJMIMBQUGGBKH-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane?
The IUPAC name of 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane (CID 130688476) is 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane.
What is the SMILES notation for 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane?
The canonical SMILES for 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane is CCC1(C2CCC2)CCC(C)(CI)O1.
What is the InChIKey of 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane?
The InChIKey is TZJMIMBQUGGBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO/c1-3-12(10-5-4-6-10)8-7-11(2,9-13)14-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane?
2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane has a molecular weight of 308.20 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane is sourced from PubChem (CID 130688476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).