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'}

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Related Compounds

2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane
CID 130583351
2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane
CID 130688476
5'-(iodomethyl)-5'-methylspiro[bicyclo[4.1.0]heptane-2,2'-oxolane]
CID 130583136
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
2-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
1-(iodomethyl)bicyclo[3.1.0]hexane
CID 147683583
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
(1-methylcyclopentyl)cyclohexane
CID 13217819

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).