(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran

C19H36O — CID 101463857

IUPAC(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran
SMILESCCCCCCC[C@H]1CC=C[C@@H](CCCCCCC)O1
InChIInChI=1S/C19H36O/c1-3-5-7-9-11-14-18-16-13-17-19(20-18)15-12-10-8-6-4-2/h13,16,18-19H,3-12,14-15,17H2,1-2H3/t18-,19+/m1/s1
InChIKeyHPEQUVCAZLZPDJ-MOPGFXCFSA-N
MW280.50 g/mol
LogP6.42
Rot. Bonds12

About (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran

(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran (PubChem CID 101463857) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran
PubChem CID101463857
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran
SMILESCCCCCCC[C@H]1CC=C[C@@H](CCCCCCC)O1
InChIInChI=1S/C19H36O/c1-3-5-7-9-11-14-18-16-13-17-19(20-18)15-12-10-8-6-4-2/h13,16,18-19H,3-12,14-15,17H2,1-2H3/t18-,19+/m1/s1
InChIKeyHPEQUVCAZLZPDJ-MOPGFXCFSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran (CID 101463857) is (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran is CCCCCCC[C@H]1CC=C[C@@H](CCCCCCC)O1.
What is the InChIKey of (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran?
The InChIKey is HPEQUVCAZLZPDJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-7-9-11-14-18-16-13-17-19(20-18)15-12-10-8-6-4-2/h13,16,18-19H,3-12,14-15,17H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran?
(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran has a molecular weight of 280.50 g/mol, XLogP of 6.42, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 101463857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).