3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane

C10H17IO — CID 167699446

IUPAC3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane
SMILESCC1OC(C2(C)CC2)CCC1I
InChIInChI=1S/C10H17IO/c1-7-8(11)3-4-9(12-7)10(2)5-6-10/h7-9H,3-6H2,1-2H3
InChIKeyHKEGGRGFDDOPNC-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.16
Rot. Bonds1

About 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane

3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane (PubChem CID 167699446) has the molecular formula C10H17IO and a molecular weight of 280.15 g/mol. Its IUPAC name is 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane.

Molecular Properties

Compound Name3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane
PubChem CID167699446
Molecular FormulaC10H17IO
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane
SMILESCC1OC(C2(C)CC2)CCC1I
InChIInChI=1S/C10H17IO/c1-7-8(11)3-4-9(12-7)10(2)5-6-10/h7-9H,3-6H2,1-2H3
InChIKeyHKEGGRGFDDOPNC-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane?
The IUPAC name of 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane (CID 167699446) is 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane.
What is the SMILES notation for 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane?
The canonical SMILES for 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane is CC1OC(C2(C)CC2)CCC1I.
What is the InChIKey of 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane?
The InChIKey is HKEGGRGFDDOPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO/c1-7-8(11)3-4-9(12-7)10(2)5-6-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane?
3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane has a molecular weight of 280.15 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-6-(1-methylcyclopropyl)oxane is sourced from PubChem (CID 167699446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).