2,3,3-triiodoprop-2-enoxymethoxycyclohexane

C10H15I3O2 — CID 12884029

IUPAC2,3,3-triiodoprop-2-enoxymethoxycyclohexane
SMILESIC(I)=C(I)COCOC1CCCCC1
InChIInChI=1S/C10H15I3O2/c11-9(10(12)13)6-14-7-15-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyYOWTZMAOLVBMKR-UHFFFAOYSA-N
MW547.94 g/mol
LogP4.78
Rot. Bonds5

About 2,3,3-triiodoprop-2-enoxymethoxycyclohexane

2,3,3-triiodoprop-2-enoxymethoxycyclohexane (PubChem CID 12884029) has the molecular formula C10H15I3O2 and a molecular weight of 547.94 g/mol. Its IUPAC name is 2,3,3-triiodoprop-2-enoxymethoxycyclohexane.

Molecular Properties

Compound Name2,3,3-triiodoprop-2-enoxymethoxycyclohexane
PubChem CID12884029
Molecular FormulaC10H15I3O2
Molecular Weight547.94 g/mol
Exact Mass547.82
IUPAC Name2,3,3-triiodoprop-2-enoxymethoxycyclohexane
SMILESIC(I)=C(I)COCOC1CCCCC1
InChIInChI=1S/C10H15I3O2/c11-9(10(12)13)6-14-7-15-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyYOWTZMAOLVBMKR-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.94
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

prop-2-ynoxymethoxycycloundecane
CID 21496345
2-cycloheptyloxyacetic acid
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2-cyclododecyloxyacetic acid
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(2-methylpropan-2-yl)oxymethoxycyclohexane
CID 15032741
2-bromoprop-2-enoxycycloheptane
CID 88586401
propan-2-yloxymethoxycyclononane
CID 21496351
1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol
CID 91354255
1-(cyclohexyloxymethoxy)propan-1-ol
CID 20698641
ethoxycyclooctane
CID 13427982
cyclooctyloxymethylsilane
CID 157063356
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955

Frequently Asked Questions

What is the IUPAC name of 2,3,3-triiodoprop-2-enoxymethoxycyclohexane?
The IUPAC name of 2,3,3-triiodoprop-2-enoxymethoxycyclohexane (CID 12884029) is 2,3,3-triiodoprop-2-enoxymethoxycyclohexane.
What is the SMILES notation for 2,3,3-triiodoprop-2-enoxymethoxycyclohexane?
The canonical SMILES for 2,3,3-triiodoprop-2-enoxymethoxycyclohexane is IC(I)=C(I)COCOC1CCCCC1.
What is the InChIKey of 2,3,3-triiodoprop-2-enoxymethoxycyclohexane?
The InChIKey is YOWTZMAOLVBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15I3O2/c11-9(10(12)13)6-14-7-15-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 2,3,3-triiodoprop-2-enoxymethoxycyclohexane?
2,3,3-triiodoprop-2-enoxymethoxycyclohexane has a molecular weight of 547.94 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triiodoprop-2-enoxymethoxycyclohexane is sourced from PubChem (CID 12884029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).