(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane

C10H17IO2 — CID 135073352

IUPAC(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
SMILESCC(C)=CCOC1OCCC[C@H]1I
InChIInChI=1S/C10H17IO2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h5,9-10H,3-4,6-7H2,1-2H3/t9-,10?/m1/s1
InChIKeySYCVOEGXPIEJJD-YHMJZVADSA-N
MW296.15 g/mol
LogP2.91
Rot. Bonds3

About (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane

(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane (PubChem CID 135073352) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane.

Molecular Properties

Compound Name(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
PubChem CID135073352
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
SMILESCC(C)=CCOC1OCCC[C@H]1I
InChIInChI=1S/C10H17IO2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h5,9-10H,3-4,6-7H2,1-2H3/t9-,10?/m1/s1
InChIKeySYCVOEGXPIEJJD-YHMJZVADSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.91
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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Related Compounds

(2S,3S)-2-prop-2-enoxyoxan-3-ol
CID 130770210
3-iodo-2-methoxyoxepane
CID 10923127
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
[4-(3-methylbut-2-enoxy)cyclohexyl]methanol
CID 106825560
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
2-but-2-enoxyoxolane
CID 86088707
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
2-(2-methylprop-1-enyl)oxolane
CID 12735917
2-(3-aminopropoxy)oxan-3-ol;methanol
CID 176676704
(2R)-2-decoxyoxan-3-ol
CID 164930030

Frequently Asked Questions

What is the IUPAC name of (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane?
The IUPAC name of (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane (CID 135073352) is (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane.
What is the SMILES notation for (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane?
The canonical SMILES for (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane is CC(C)=CCOC1OCCC[C@H]1I.
What is the InChIKey of (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane?
The InChIKey is SYCVOEGXPIEJJD-YHMJZVADSA-N. The full InChI is InChI=1S/C10H17IO2/c1-8(2)5-7-13-10-9(11)4-3-6-12-10/h5,9-10H,3-4,6-7H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane?
(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane has a molecular weight of 296.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane is sourced from PubChem (CID 135073352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).