2-cyclopropyl-6-(iodomethyl)oxane

C9H15IO — CID 130582932

IUPAC2-cyclopropyl-6-(iodomethyl)oxane
SMILESICC1CCCC(C2CC2)O1
InChIInChI=1S/C9H15IO/c10-6-8-2-1-3-9(11-8)7-4-5-7/h7-9H,1-6H2
InChIKeyZSVDYCQNWBTPAD-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.77
Rot. Bonds2

About 2-cyclopropyl-6-(iodomethyl)oxane

2-cyclopropyl-6-(iodomethyl)oxane (PubChem CID 130582932) has the molecular formula C9H15IO and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-cyclopropyl-6-(iodomethyl)oxane.

Molecular Properties

Compound Name2-cyclopropyl-6-(iodomethyl)oxane
PubChem CID130582932
Molecular FormulaC9H15IO
Molecular Weight266.12 g/mol
Exact Mass266.02
IUPAC Name2-cyclopropyl-6-(iodomethyl)oxane
SMILESICC1CCCC(C2CC2)O1
InChIInChI=1S/C9H15IO/c10-6-8-2-1-3-9(11-8)7-4-5-7/h7-9H,1-6H2
InChIKeyZSVDYCQNWBTPAD-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.77
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-cyclopropyl-6-(iodomethyl)oxane with MolForge

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

Launch Full Analysis

Related Compounds

2-Cyclopropyl-5-(iodomethyl)oxolane
CID 126970884
(2R)-2-(cyclopropylmethyl)-4-fluorooxane
CID 130286913
(2r,3r)-1-Iodo-8-methyl-cis-2,3-epoxynonane
CID 129776734
(2s,3s)-1-Iodo-8-methyl-cis-2,3-epoxynonane
CID 129776738
(2S,4S)-3-ethyl-4-iodo-2-propan-2-yloxane
CID 135059003
(2S,4S,6R)-3-hexyl-4-iodo-6-methyl-2-propan-2-yloxane
CID 135059128
2-Cyclopropyltetrahydro-2H-pyran
CID 21136601
(3R,6S)-2-ethyl-6-(iodomethyl)-3,4,5-trimethyloxane
CID 59881580
(2R,6R)-2-cyclopropyl-6-methyloxane
CID 89088894
(2S)-2-cyclopropyloxane
CID 94036831
(2R)-2-cyclopropyloxane
CID 94036832
2-Cyclopropyl-4-methyloxane
CID 118443642

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(iodomethyl)oxane?
The IUPAC name of 2-cyclopropyl-6-(iodomethyl)oxane (CID 130582932) is 2-cyclopropyl-6-(iodomethyl)oxane.
What is the SMILES notation for 2-cyclopropyl-6-(iodomethyl)oxane?
The canonical SMILES for 2-cyclopropyl-6-(iodomethyl)oxane is ICC1CCCC(C2CC2)O1.
What is the InChIKey of 2-cyclopropyl-6-(iodomethyl)oxane?
The InChIKey is ZSVDYCQNWBTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO/c10-6-8-2-1-3-9(11-8)7-4-5-7/h7-9H,1-6H2.
What are the key properties of 2-cyclopropyl-6-(iodomethyl)oxane?
2-cyclopropyl-6-(iodomethyl)oxane has a molecular weight of 266.12 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(iodomethyl)oxane is sourced from PubChem (CID 130582932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).