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

C9H16O3 — CID 11788550

IUPAC[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCC(C)O[C@H]1C=CC[C@H](CO)O1
InChIInChI=1S/C9H16O3/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5,7-10H,4,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyATAXEOBATHQBJC-RKDXNWHRSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds3

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

[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 11788550) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID11788550
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCC(C)O[C@H]1C=CC[C@H](CO)O1
InChIInChI=1S/C9H16O3/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5,7-10H,4,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyATAXEOBATHQBJC-RKDXNWHRSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol (CID 11788550) is [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol is CC(C)O[C@H]1C=CC[C@H](CO)O1.
What is the InChIKey of [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is ATAXEOBATHQBJC-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5,7-10H,4,6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol?
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 11788550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).