(2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran

C25H48O — CID 134931731

IUPAC(2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCCC)O1
InChIInChI=1S/C25H48O/c1-3-5-7-9-11-13-15-17-20-24-22-19-23-25(26-24)21-18-16-14-12-10-8-6-4-2/h19,22,24-25H,3-18,20-21,23H2,1-2H3/t24-,25-/m0/s1
InChIKeyKGRNQVJQBCOSSU-DQEYMECFSA-N
MW364.66 g/mol
LogP8.76
Rot. Bonds18

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

(2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran (PubChem CID 134931731) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran
PubChem CID134931731
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name(2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCCC)O1
InChIInChI=1S/C25H48O/c1-3-5-7-9-11-13-15-17-20-24-22-19-23-25(26-24)21-18-16-14-12-10-8-6-4-2/h19,22,24-25H,3-18,20-21,23H2,1-2H3/t24-,25-/m0/s1
InChIKeyKGRNQVJQBCOSSU-DQEYMECFSA-N
XLogP8.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.76
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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Related Compounds

trans-11S,12S-Epoxy-6Z,9Z-heneicosadiene
CID 10494907
9R,10S-Epoxy-3Z,6Z-heneicosadiene
CID 11833742
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
9R,10S-Epoxy-6Z-heneicosene
CID 11809018
6S,7R-Epoxy-9Z-nonadecene
CID 15708146
9S,10R-Epoxy-6Z-octadecene
CID 56936247
6,7-Epoxy-9Z-octadecene
CID 56936248
9R,10S-Epoxy-3Z,6Z-eicosadiene
CID 56936259
9S,10R-Epoxy-6Z-nonadecene
CID 15708132
9R,10S-Epoxy-6Z-eicosene
CID 15708134
6R,7S-Epoxy-9Z-nonadecene
CID 15708145
9S,10R-Epoxy-3Z,6Z-eicosadiene
CID 56936260

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran (CID 134931731) is (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran is CCCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCCC)O1.
What is the InChIKey of (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran?
The InChIKey is KGRNQVJQBCOSSU-DQEYMECFSA-N. The full InChI is InChI=1S/C25H48O/c1-3-5-7-9-11-13-15-17-20-24-22-19-23-25(26-24)21-18-16-14-12-10-8-6-4-2/h19,22,24-25H,3-18,20-21,23H2,1-2H3/t24-,25-/m0/s1.
What are the key properties of (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran?
(2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran has a molecular weight of 364.66 g/mol, XLogP of 8.76, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-didecyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134931731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).