(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran

C15H28O3 — CID 44606206

IUPAC(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCC[C@H]1CC=C(OCC)[C@H](OCC)O1
InChIInChI=1S/C15H28O3/c1-4-7-8-9-10-13-11-12-14(16-5-2)15(18-13)17-6-3/h12-13,15H,4-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyUVVZUCLWLBDKLN-DZGCQCFKSA-N
MW256.39 g/mol
LogP4.03
Rot. Bonds9

About (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran

(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran (PubChem CID 44606206) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
PubChem CID44606206
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
SMILESCCCCCC[C@H]1CC=C(OCC)[C@H](OCC)O1
InChIInChI=1S/C15H28O3/c1-4-7-8-9-10-13-11-12-14(16-5-2)15(18-13)17-6-3/h12-13,15H,4-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyUVVZUCLWLBDKLN-DZGCQCFKSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
CID 12462321
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CID 14017438
(2S,4R)-4-(methoxymethoxy)-6-methyl-2-propyl-3,4-dihydro-2H-pyran
CID 25192102
(1R,2S,5R)-2-(1-methoxyprop-2-enoxy)-8-oxabicyclo[3.2.1]oct-6-ene
CID 42604313
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2-(Hept-2-en-3-yl)-3-[(prop-2-en-1-yl)oxy]oxirane
CID 133064835
2,4,5-trimethoxy-5-undecyl-2H-furan
CID 134836299
5-Hydroperoxy-3-methoxy-2-undecyl-2,5-dihydrofuran
CID 134836323
(5S)-2,3-dimethoxy-4-(5-methoxypent-4-enyl)-5-methyl-2,5-dihydrofuran
CID 135015993
6-Butyl-2-methoxy-1,7,10-trioxaspiro[4.5]dec-3-ene
CID 162408425
5-hexyl-2,4,5-trimethoxy-2H-furan
CID 11368546
(2R,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44605098

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran (CID 44606206) is (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran is CCCCCC[C@H]1CC=C(OCC)[C@H](OCC)O1.
What is the InChIKey of (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran?
The InChIKey is UVVZUCLWLBDKLN-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-7-8-9-10-13-11-12-14(16-5-2)15(18-13)17-6-3/h12-13,15H,4-11H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran?
(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran has a molecular weight of 256.39 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 44606206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).