(2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran

C14H23BrO — CID 59026899

IUPAC(2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran
SMILESCC(C)=CCC[C@H](C)C[C@@H]1CC=C[C@@H](Br)O1
InChIInChI=1S/C14H23BrO/c1-11(2)6-4-7-12(3)10-13-8-5-9-14(15)16-13/h5-6,9,12-14H,4,7-8,10H2,1-3H3/t12-,13-,14-/m0/s1
InChIKeyOXZLSFUSPKCKGG-IHRRRGAJSA-N
MW287.24 g/mol
LogP4.83
Rot. Bonds5

About (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran

(2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran (PubChem CID 59026899) has the molecular formula C14H23BrO and a molecular weight of 287.24 g/mol. Its IUPAC name is (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran
PubChem CID59026899
Molecular FormulaC14H23BrO
Molecular Weight287.24 g/mol
Exact Mass286.09
IUPAC Name(2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran
SMILESCC(C)=CCC[C@H](C)C[C@@H]1CC=C[C@@H](Br)O1
InChIInChI=1S/C14H23BrO/c1-11(2)6-4-7-12(3)10-13-8-5-9-14(15)16-13/h5-6,9,12-14H,4,7-8,10H2,1-3H3/t12-,13-,14-/m0/s1
InChIKeyOXZLSFUSPKCKGG-IHRRRGAJSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran (CID 59026899) is (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran is CC(C)=CCC[C@H](C)C[C@@H]1CC=C[C@@H](Br)O1.
What is the InChIKey of (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran?
The InChIKey is OXZLSFUSPKCKGG-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H23BrO/c1-11(2)6-4-7-12(3)10-13-8-5-9-14(15)16-13/h5-6,9,12-14H,4,7-8,10H2,1-3H3/t12-,13-,14-/m0/s1.
What are the key properties of (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran?
(2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran has a molecular weight of 287.24 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-bromo-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 59026899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).