5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran

C23H44O2 — CID 152532677

IUPAC5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCCCCCC1CC(OC)=C(CCCCCC)CO1
InChIInChI=1S/C23H44O2/c1-4-6-8-10-11-12-13-14-16-18-22-19-23(24-3)21(20-25-22)17-15-9-7-5-2/h22H,4-20H2,1-3H3
InChIKeyYJVVCQKLZJROHE-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.57
Rot. Bonds16

About 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran

5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran (PubChem CID 152532677) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran
PubChem CID152532677
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran
SMILESCCCCCCCCCCCC1CC(OC)=C(CCCCCC)CO1
InChIInChI=1S/C23H44O2/c1-4-6-8-10-11-12-13-14-16-18-22-19-23(24-3)21(20-25-22)17-15-9-7-5-2/h22H,4-20H2,1-3H3
InChIKeyYJVVCQKLZJROHE-UHFFFAOYSA-N
XLogP7.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.57
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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Related Compounds

(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol
CID 151919481
4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
CID 69342031
(3R)-6-methoxy-3-undecyl-3,4-dihydro-1H-isochromen-8-ol
CID 163072146
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;tetradecane
CID 174899291
1-decyl-4,5-dimethoxy-2-methylcyclohexa-1,4-diene
CID 175795883
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran?
The IUPAC name of 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran (CID 152532677) is 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran is CCCCCCCCCCCC1CC(OC)=C(CCCCCC)CO1.
What is the InChIKey of 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran?
The InChIKey is YJVVCQKLZJROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-4-6-8-10-11-12-13-14-16-18-22-19-23(24-3)21(20-25-22)17-15-9-7-5-2/h22H,4-20H2,1-3H3.
What are the key properties of 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran?
5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran has a molecular weight of 352.60 g/mol, XLogP of 7.57, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 152532677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).