(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol

C24H46O2 — CID 151919481

IUPAC(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol
SMILESCCCCCCCCCCCCCCCCC[C@@H]1CC(O)=C(CC)CO1
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(25)22(4-2)21-26-23/h23,25H,3-21H2,1-2H3/t23-/m1/s1
InChIKeySWLSUTFNHXUDNJ-HSZRJFAPSA-N
MW366.63 g/mol
LogP8.26
Rot. Bonds17

About (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol

(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol (PubChem CID 151919481) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol
PubChem CID151919481
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol
SMILESCCCCCCCCCCCCCCCCC[C@@H]1CC(O)=C(CC)CO1
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(25)22(4-2)21-26-23/h23,25H,3-21H2,1-2H3/t23-/m1/s1
InChIKeySWLSUTFNHXUDNJ-HSZRJFAPSA-N
XLogP8.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-4-methoxy-2-undecyl-3,6-dihydro-2H-pyran
CID 152532677
4,5-dimethyl-2-pentyl-3,6-dihydro-2H-pyran
CID 69342031
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;tetradecane
CID 174899291
(3R)-6-methoxy-3-undecyl-3,4-dihydro-1H-isochromen-8-ol
CID 163072146
3-heptyl-6,8-dihydroxy-5-methyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
CID 163058501
4-dodecyloxetan-2-one
CID 90110174

Frequently Asked Questions

What is the IUPAC name of (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol (CID 151919481) is (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol is CCCCCCCCCCCCCCCCC[C@@H]1CC(O)=C(CC)CO1.
What is the InChIKey of (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol?
The InChIKey is SWLSUTFNHXUDNJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(25)22(4-2)21-26-23/h23,25H,3-21H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol?
(2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol has a molecular weight of 366.63 g/mol, XLogP of 8.26, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-ethyl-2-heptadecyl-3,6-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 151919481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).