2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane

C13H23IO2 — CID 134897740

IUPAC2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane
SMILESC=C(CCI)[C@H](C)CCOC1CCCCO1
InChIInChI=1S/C13H23IO2/c1-11(6-8-14)12(2)7-10-16-13-5-3-4-9-15-13/h12-13H,1,3-10H2,2H3/t12-,13?/m1/s1
InChIKeyFOCBMNIMZLQYBP-PZORYLMUSA-N
MW338.23 g/mol
LogP3.94
Rot. Bonds7

About 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane

2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane (PubChem CID 134897740) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane.

Molecular Properties

Compound Name2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane
PubChem CID134897740
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane
SMILESC=C(CCI)[C@H](C)CCOC1CCCCO1
InChIInChI=1S/C13H23IO2/c1-11(6-8-14)12(2)7-10-16-13-5-3-4-9-15-13/h12-13H,1,3-10H2,2H3/t12-,13?/m1/s1
InChIKeyFOCBMNIMZLQYBP-PZORYLMUSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane?
The IUPAC name of 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane (CID 134897740) is 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane.
What is the SMILES notation for 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane?
The canonical SMILES for 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane is C=C(CCI)[C@H](C)CCOC1CCCCO1.
What is the InChIKey of 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane?
The InChIKey is FOCBMNIMZLQYBP-PZORYLMUSA-N. The full InChI is InChI=1S/C13H23IO2/c1-11(6-8-14)12(2)7-10-16-13-5-3-4-9-15-13/h12-13H,1,3-10H2,2H3/t12-,13?/m1/s1.
What are the key properties of 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane?
2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane has a molecular weight of 338.23 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-iodo-3-methyl-4-methylidenehexoxy]oxane is sourced from PubChem (CID 134897740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).