2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane

C11H21IO5 — CID 11760168

IUPAC2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESICC1COCCOCCOCCOCCO1
InChIInChI=1S/C11H21IO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10H2
InChIKeyKCJMBWWEHGEVOV-UHFFFAOYSA-N
MW360.19 g/mol
LogP0.89
Rot. Bonds1

About 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane

2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 11760168) has the molecular formula C11H21IO5 and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID11760168
Molecular FormulaC11H21IO5
Molecular Weight360.19 g/mol
Exact Mass360.04
IUPAC Name2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESICC1COCCOCCOCCOCCO1
InChIInChI=1S/C11H21IO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10H2
InChIKeyKCJMBWWEHGEVOV-UHFFFAOYSA-N
XLogP0.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
ethane;2-ethyl-1,4-dioxane
CID 170734415
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
2-[(4,4-dimethylcyclohexyl)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 142266133
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
[(2S)-1,4-dioxan-2-yl]methyl-methylazanium
CID 6983654
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
CID 122553688
2-ethyl-1,4,7,10,13,16-hexaoxacyclooctadecane;isocyanic acid
CID 91046910
N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
CID 80695502
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane (CID 11760168) is 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane is ICC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is KCJMBWWEHGEVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO5/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11H,1-10H2.
What are the key properties of 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 360.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 11760168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).