(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran

C9H15ClO2 — CID 11321441

IUPAC(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran
SMILESCC(C)O[C@@H]1C=CC[C@@H](CCl)O1
InChIInChI=1S/C9H15ClO2/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5,7-9H,4,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyIHWVPMOHTOUMEI-IUCAKERBSA-N
MW190.67 g/mol
LogP2.32
Rot. Bonds3

About (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran

(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran (PubChem CID 11321441) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran
PubChem CID11321441
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran
SMILESCC(C)O[C@@H]1C=CC[C@@H](CCl)O1
InChIInChI=1S/C9H15ClO2/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5,7-9H,4,6H2,1-2H3/t8-,9-/m0/s1
InChIKeyIHWVPMOHTOUMEI-IUCAKERBSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran (CID 11321441) is (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran is CC(C)O[C@@H]1C=CC[C@@H](CCl)O1.
What is the InChIKey of (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
The InChIKey is IHWVPMOHTOUMEI-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-7(2)11-9-5-3-4-8(6-10)12-9/h3,5,7-9H,4,6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran?
(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran has a molecular weight of 190.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11321441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).