(2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran

C25H44O — CID 134928453

IUPAC(2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran
SMILESC=CCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCC=C)O1
InChIInChI=1S/C25H44O/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/h3-4,19,22,24-25H,1-2,5-18,20-21,23H2/t24-,25-/m0/s1
InChIKeyKSEAPMYQACHDEV-DQEYMECFSA-N
MW360.63 g/mol
LogP8.31
Rot. Bonds18

About (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran

(2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran (PubChem CID 134928453) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran
PubChem CID134928453
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name(2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran
SMILESC=CCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCC=C)O1
InChIInChI=1S/C25H44O/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/h3-4,19,22,24-25H,1-2,5-18,20-21,23H2/t24-,25-/m0/s1
InChIKeyKSEAPMYQACHDEV-DQEYMECFSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.31
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
4-chloro-6-[10-(4-chloro-3,6-dihydro-2H-pyran-6-yl)decyl]-3,6-dihydro-2H-pyran
CID 44431686
(2R,3R)-2-hex-5-enyl-3-[(1E,7E)-nona-1,7-dien-3,5-diynyl]oxirane
CID 163189087
trans-4S,5S-Epoxy-6Z,9Z-nonadecadiene
CID 11022252
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080
(2S,6R)-2,6-diheptyl-3,6-dihydro-2H-pyran
CID 101463857
2-Hexyl-2,5-dihydrofuran
CID 10855696
(1Z)-3-methoxycyclooctene
CID 12522564
6-butyl-3,6-dihydro-2H-pyran
CID 12536732
2-methyl-6-[(E)-prop-1-enyl]oxane
CID 14447586
2-Heptyl-2,5-dihydrofuran
CID 57702310
2-Butoxyheptadec-8-ene
CID 91038550

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran (CID 134928453) is (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran is C=CCCCCCCCC[C@H]1CC=C[C@H](CCCCCCCCC=C)O1.
What is the InChIKey of (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is KSEAPMYQACHDEV-DQEYMECFSA-N. The full InChI is InChI=1S/C25H44O/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/h3-4,19,22,24-25H,1-2,5-18,20-21,23H2/t24-,25-/m0/s1.
What are the key properties of (2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran?
(2S,6S)-2,6-bis(dec-9-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 360.63 g/mol, XLogP of 8.31, 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-bis(dec-9-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 134928453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).