1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane

C13H25IO2 — CID 114775044

IUPAC1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
SMILESCC(C)(C)OCCOC1CCCCCC1I
InChIInChI=1S/C13H25IO2/c1-13(2,3)16-10-9-15-12-8-6-4-5-7-11(12)14/h11-12H,4-10H2,1-3H3
InChIKeyWPPSKTYMPKVXPA-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.95
Rot. Bonds4

About 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane

1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane (PubChem CID 114775044) has the molecular formula C13H25IO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane.

Molecular Properties

Compound Name1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
PubChem CID114775044
Molecular FormulaC13H25IO2
Molecular Weight340.25 g/mol
Exact Mass340.09
IUPAC Name1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
SMILESCC(C)(C)OCCOC1CCCCCC1I
InChIInChI=1S/C13H25IO2/c1-13(2,3)16-10-9-15-12-8-6-4-5-7-11(12)14/h11-12H,4-10H2,1-3H3
InChIKeyWPPSKTYMPKVXPA-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol
CID 115942497
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclooctan-1-amine
CID 112587404
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
CID 114775120
1-(cyclohexylmethoxy)-2-iodocyclohexane
CID 114774023
1-iodo-2-pentoxycyclopentane
CID 114773690
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
1-(cyclobutylmethoxy)-2-iodocyclohexane
CID 165489873
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 115942468
1-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 104753771
1-iodo-2-pentan-3-yloxycyclooctane
CID 165493288

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane?
The IUPAC name of 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane (CID 114775044) is 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane.
What is the SMILES notation for 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane?
The canonical SMILES for 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane is CC(C)(C)OCCOC1CCCCCC1I.
What is the InChIKey of 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane?
The InChIKey is WPPSKTYMPKVXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IO2/c1-13(2,3)16-10-9-15-12-8-6-4-5-7-11(12)14/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane?
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane has a molecular weight of 340.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane is sourced from PubChem (CID 114775044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).