(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane

C12H25IO3 — CID 146498069

IUPAC(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane
SMILESCOC(I)[C@H](C)[C@@H](COC(C)C)OC(C)C
InChIInChI=1S/C12H25IO3/c1-8(2)15-7-11(16-9(3)4)10(5)12(13)14-6/h8-12H,7H2,1-6H3/t10-,11-,12?/m1/s1
InChIKeyTVKPENJEBFSSDX-XFKKCKKNSA-N
MW344.23 g/mol
LogP3.25
Rot. Bonds8

About (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane

(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane (PubChem CID 146498069) has the molecular formula C12H25IO3 and a molecular weight of 344.23 g/mol. Its IUPAC name is (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane.

Molecular Properties

Compound Name(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane
PubChem CID146498069
Molecular FormulaC12H25IO3
Molecular Weight344.23 g/mol
Exact Mass344.08
IUPAC Name(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane
SMILESCOC(I)[C@H](C)[C@@H](COC(C)C)OC(C)C
InChIInChI=1S/C12H25IO3/c1-8(2)15-7-11(16-9(3)4)10(5)12(13)14-6/h8-12H,7H2,1-6H3/t10-,11-,12?/m1/s1
InChIKeyTVKPENJEBFSSDX-XFKKCKKNSA-N
XLogP3.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5-pentamethoxy-6-propan-2-yloxyhexane
CID 123753623
acetic acid;2-methoxy-1-propan-2-yloxypropane
CID 172787962
2-chloro-1-methoxy-1,3-di(propan-2-yloxy)propane
CID 88633039
(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol
CID 160617536
(3R,4R,5S)-1,2,3,4,6-pentamethoxy-5-propan-2-yloxyhexane
CID 88544683
1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane
CID 135274448
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
1,2-dimethoxypropane;thulium
CID 175866702
1-iodo-2-propan-2-yloxypropane
CID 144952725
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane?
The IUPAC name of (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane (CID 146498069) is (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane.
What is the SMILES notation for (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane?
The canonical SMILES for (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane is COC(I)[C@H](C)[C@@H](COC(C)C)OC(C)C.
What is the InChIKey of (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane?
The InChIKey is TVKPENJEBFSSDX-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H25IO3/c1-8(2)15-7-11(16-9(3)4)10(5)12(13)14-6/h8-12H,7H2,1-6H3/t10-,11-,12?/m1/s1.
What are the key properties of (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane?
(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane has a molecular weight of 344.23 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane is sourced from PubChem (CID 146498069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).