[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol

C10H18O3 — CID 10261846

IUPAC[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCC(C)O[C@@H]1C=C[C@H](C)[C@@H](CO)O1
InChIInChI=1S/C10H18O3/c1-7(2)12-10-5-4-8(3)9(6-11)13-10/h4-5,7-11H,6H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyLBSDHMNWUQFXEZ-AEJSXWLSSA-N
MW186.25 g/mol
LogP1.32
Rot. Bonds3

About [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol

[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 10261846) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID10261846
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCC(C)O[C@@H]1C=C[C@H](C)[C@@H](CO)O1
InChIInChI=1S/C10H18O3/c1-7(2)12-10-5-4-8(3)9(6-11)13-10/h4-5,7-11H,6H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyLBSDHMNWUQFXEZ-AEJSXWLSSA-N
XLogP1.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol with MolForge

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Related Compounds

ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
[(2R,6R)-6-ethoxy-3,3-difluoro-2,6-dihydropyran-2-yl]methanol
CID 21577310
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603
(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 10329559

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol (CID 10261846) is [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol is CC(C)O[C@@H]1C=C[C@H](C)[C@@H](CO)O1.
What is the InChIKey of [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is LBSDHMNWUQFXEZ-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)12-10-5-4-8(3)9(6-11)13-10/h4-5,7-11H,6H2,1-3H3/t8-,9+,10-/m0/s1.
What are the key properties of [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 10261846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).