(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol

C8H13IO3 — CID 11346632

IUPAC(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol
SMILESCO[C@@H]1C=C[C@](C)(O)[C@@H](CI)O1
InChIInChI=1S/C8H13IO3/c1-8(10)4-3-7(11-2)12-6(8)5-9/h3-4,6-7,10H,5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKeyVZMHUFPIBRIUEZ-CSMHCCOUSA-N
MW284.09 g/mol
LogP1.10
Rot. Bonds2

About (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol

(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol (PubChem CID 11346632) has the molecular formula C8H13IO3 and a molecular weight of 284.09 g/mol. Its IUPAC name is (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol.

Molecular Properties

Compound Name(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol
PubChem CID11346632
Molecular FormulaC8H13IO3
Molecular Weight284.09 g/mol
Exact Mass283.99
IUPAC Name(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol
SMILESCO[C@@H]1C=C[C@](C)(O)[C@@H](CI)O1
InChIInChI=1S/C8H13IO3/c1-8(10)4-3-7(11-2)12-6(8)5-9/h3-4,6-7,10H,5H2,1-2H3/t6-,7+,8+/m1/s1
InChIKeyVZMHUFPIBRIUEZ-CSMHCCOUSA-N
XLogP1.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
(2S,3R,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11126390
(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol
CID 11817654
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
CID 102514102
(2r,3s,6s)-3,6-Dihydro-6-methoxy-2-methyl-2h-pyran-3-ol
CID 129851017
[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 10261846
2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 85247166
[(2R,6R)-2-methoxy-6-methyl-2,5-dihydropyran-6-yl]methanol
CID 100917637
(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 12940513
6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 13877192
2-ethyl-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 70580186

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol?
The IUPAC name of (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol (CID 11346632) is (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol.
What is the SMILES notation for (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol?
The canonical SMILES for (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol is CO[C@@H]1C=C[C@](C)(O)[C@@H](CI)O1.
What is the InChIKey of (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol?
The InChIKey is VZMHUFPIBRIUEZ-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H13IO3/c1-8(10)4-3-7(11-2)12-6(8)5-9/h3-4,6-7,10H,5H2,1-2H3/t6-,7+,8+/m1/s1.
What are the key properties of (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol?
(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol has a molecular weight of 284.09 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol is sourced from PubChem (CID 11346632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).