2-hexyl-6-iodooxane

C11H21IO — CID 134876178

IUPAC2-hexyl-6-iodooxane
SMILESCCCCCCC1CCCC(I)O1
InChIInChI=1S/C11H21IO/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10-11H,2-9H2,1H3
InChIKeyULSOJBGSTRXSIO-UHFFFAOYSA-N
MW296.19 g/mol
LogP4.29
Rot. Bonds5

About 2-hexyl-6-iodooxane

2-hexyl-6-iodooxane (PubChem CID 134876178) has the molecular formula C11H21IO and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-hexyl-6-iodooxane.

Molecular Properties

Compound Name2-hexyl-6-iodooxane
PubChem CID134876178
Molecular FormulaC11H21IO
Molecular Weight296.19 g/mol
Exact Mass296.06
IUPAC Name2-hexyl-6-iodooxane
SMILESCCCCCCC1CCCC(I)O1
InChIInChI=1S/C11H21IO/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10-11H,2-9H2,1H3
InChIKeyULSOJBGSTRXSIO-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-Propyltetrahydropyran
CID 138066
2-Butyl-tetrahydro-pyran
CID 12508241
2-Pentyloxane
CID 12596605
5-Fluoro-2-pentyloxane
CID 11275319
(2R,6S)-4-fluoro-2,6-dipropyloxane
CID 14492058
(2R,6S)-4-fluoro-2,6-dipentyloxane
CID 101504275
(2S,4S)-4-fluoro-2-heptyloxane
CID 102438674
(2R,4R)-4-fluoro-2-pentyloxane
CID 132568216
(2S,4S)-4-fluoro-2-hexyloxane
CID 154714295
5-Fluoro-2-hexyloxane
CID 154715253
(2R,6S)-2,6-dibutyl-4-fluorooxane
CID 154716013
1-Iodo-cis-2,3-epoxy-octane
CID 13906506

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-iodooxane?
The IUPAC name of 2-hexyl-6-iodooxane (CID 134876178) is 2-hexyl-6-iodooxane.
What is the SMILES notation for 2-hexyl-6-iodooxane?
The canonical SMILES for 2-hexyl-6-iodooxane is CCCCCCC1CCCC(I)O1.
What is the InChIKey of 2-hexyl-6-iodooxane?
The InChIKey is ULSOJBGSTRXSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-hexyl-6-iodooxane?
2-hexyl-6-iodooxane has a molecular weight of 296.19 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-iodooxane is sourced from PubChem (CID 134876178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).