3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one

C30H41NO5 — CID 162672695

IUPAC3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one
SMILESC/C(=C\CC/C(C)=C/Cc1c(O)cc(-c2cccnc2)oc1=O)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H41NO5/c1-21(10-7-12-23(3)15-17-28(33)30(4,5)35)9-6-11-22(2)14-16-25-26(32)19-27(36-29(25)34)24-13-8-18-31-20-24/h8-9,12-14,18-20,28,32-33,35H,6-7,10-11,15-17H2,1-5H3/b21-9+,22-14+,23-12+
InChIKeyRVCIBEIFPHQICR-JLKPGHIUSA-N
MW495.66 g/mol
LogP6.26
Rot. Bonds13

About 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one

3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one (PubChem CID 162672695) has the molecular formula C30H41NO5 and a molecular weight of 495.66 g/mol. Its IUPAC name is 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one.

Molecular Properties

Compound Name3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one
PubChem CID162672695
Molecular FormulaC30H41NO5
Molecular Weight495.66 g/mol
Exact Mass495.30
IUPAC Name3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one
SMILESC/C(=C\CC/C(C)=C/Cc1c(O)cc(-c2cccnc2)oc1=O)CC/C=C(\C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H41NO5/c1-21(10-7-12-23(3)15-17-28(33)30(4,5)35)9-6-11-22(2)14-16-25-26(32)19-27(36-29(25)34)24-13-8-18-31-20-24/h8-9,12-14,18-20,28,32-33,35H,6-7,10-11,15-17H2,1-5H3/b21-9+,22-14+,23-12+
InChIKeyRVCIBEIFPHQICR-JLKPGHIUSA-N
XLogP6.26
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.66
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one?
The IUPAC name of 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one (CID 162672695) is 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one.
What is the SMILES notation for 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one?
The canonical SMILES for 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one is C/C(=C\CC/C(C)=C/Cc1c(O)cc(-c2cccnc2)oc1=O)CC/C=C(\C)CCC(O)C(C)(C)O.
What is the InChIKey of 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one?
The InChIKey is RVCIBEIFPHQICR-JLKPGHIUSA-N. The full InChI is InChI=1S/C30H41NO5/c1-21(10-7-12-23(3)15-17-28(33)30(4,5)35)9-6-11-22(2)14-16-25-26(32)19-27(36-29(25)34)24-13-8-18-31-20-24/h8-9,12-14,18-20,28,32-33,35H,6-7,10-11,15-17H2,1-5H3/b21-9+,22-14+,23-12+.
What are the key properties of 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one?
3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one has a molecular weight of 495.66 g/mol, XLogP of 6.26, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,6E,10E)-14,15-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-4-hydroxy-6-pyridin-3-ylpyran-2-one is sourced from PubChem (CID 162672695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).