(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran

C18H34O2 — CID 51355110

IUPAC(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCCCC[C@@H]1CC(OCC)=C[C@H](C)O1
InChIInChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-17-15-18(19-5-2)14-16(3)20-17/h14,16-17H,4-13,15H2,1-3H3/t16-,17+/m0/s1
InChIKeyFUDCXEZZGFNWKJ-DLBZAZTESA-N
MW282.47 g/mol
LogP5.61
Rot. Bonds11

About (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran

(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran (PubChem CID 51355110) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran
PubChem CID51355110
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCCCC[C@@H]1CC(OCC)=C[C@H](C)O1
InChIInChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-17-15-18(19-5-2)14-16(3)20-17/h14,16-17H,4-13,15H2,1-3H3/t16-,17+/m0/s1
InChIKeyFUDCXEZZGFNWKJ-DLBZAZTESA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran (CID 51355110) is (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran is CCCCCCCCCC[C@@H]1CC(OCC)=C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran?
The InChIKey is FUDCXEZZGFNWKJ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H34O2/c1-4-6-7-8-9-10-11-12-13-17-15-18(19-5-2)14-16(3)20-17/h14,16-17H,4-13,15H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran?
(2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran has a molecular weight of 282.47 g/mol, XLogP of 5.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-decyl-4-ethoxy-6-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 51355110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).