[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol

C12H22O4 — CID 11736370

IUPAC[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol
SMILESCO[C@@]1(C)C[C@@H](OC(C)(C)C)C=C(CO)O1
InChIInChI=1S/C12H22O4/c1-11(2,3)15-9-6-10(8-13)16-12(4,7-9)14-5/h6,9,13H,7-8H2,1-5H3/t9-,12+/m0/s1
InChIKeyKZLIPEDUVOQMJD-JOYOIKCWSA-N
MW230.30 g/mol
LogP1.83
Rot. Bonds3

About [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol

[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol (PubChem CID 11736370) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol
PubChem CID11736370
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol
SMILESCO[C@@]1(C)C[C@@H](OC(C)(C)C)C=C(CO)O1
InChIInChI=1S/C12H22O4/c1-11(2,3)15-9-6-10(8-13)16-12(4,7-9)14-5/h6,9,13H,7-8H2,1-5H3/t9-,12+/m0/s1
InChIKeyKZLIPEDUVOQMJD-JOYOIKCWSA-N
XLogP1.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol?
The IUPAC name of [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol (CID 11736370) is [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol.
What is the SMILES notation for [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol?
The canonical SMILES for [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol is CO[C@@]1(C)C[C@@H](OC(C)(C)C)C=C(CO)O1.
What is the InChIKey of [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol?
The InChIKey is KZLIPEDUVOQMJD-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H22O4/c1-11(2,3)15-9-6-10(8-13)16-12(4,7-9)14-5/h6,9,13H,7-8H2,1-5H3/t9-,12+/m0/s1.
What are the key properties of [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol?
[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol has a molecular weight of 230.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol is sourced from PubChem (CID 11736370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).