2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane

C12H21IO — CID 130583379

IUPAC2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane
SMILESCC1(CI)CCC(C)(C2CCCC2)O1
InChIInChI=1S/C12H21IO/c1-11(9-13)7-8-12(2,14-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyNGUQZSCHLPSQSM-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.94
Rot. Bonds2

About 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane

2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane (PubChem CID 130583379) has the molecular formula C12H21IO and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane.

Molecular Properties

Compound Name2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane
PubChem CID130583379
Molecular FormulaC12H21IO
Molecular Weight308.20 g/mol
Exact Mass308.06
IUPAC Name2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane
SMILESCC1(CI)CCC(C)(C2CCCC2)O1
InChIInChI=1S/C12H21IO/c1-11(9-13)7-8-12(2,14-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyNGUQZSCHLPSQSM-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane?
The IUPAC name of 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane (CID 130583379) is 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane.
What is the SMILES notation for 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane?
The canonical SMILES for 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane is CC1(CI)CCC(C)(C2CCCC2)O1.
What is the InChIKey of 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane?
The InChIKey is NGUQZSCHLPSQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IO/c1-11(9-13)7-8-12(2,14-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane?
2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane has a molecular weight of 308.20 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane is sourced from PubChem (CID 130583379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).