2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol

C22H30O3 — CID 10308835

IUPAC2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol
SMILESC/C(=C\CCC1(C)C=Cc2c(O)cc(C)cc2O1)C/C=C/C(C)(C)O
InChIInChI=1S/C22H30O3/c1-16(8-6-11-21(3,4)24)9-7-12-22(5)13-10-18-19(23)14-17(2)15-20(18)25-22/h6,9-11,13-15,23-24H,7-8,12H2,1-5H3/b11-6+,16-9+
InChIKeyHNSJSAWPTOJTEL-UPFKAIBTSA-N
MW342.48 g/mol
LogP5.31
Rot. Bonds6

About 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol

2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol (PubChem CID 10308835) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol.

Molecular Properties

Compound Name2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol
PubChem CID10308835
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol
SMILESC/C(=C\CCC1(C)C=Cc2c(O)cc(C)cc2O1)C/C=C/C(C)(C)O
InChIInChI=1S/C22H30O3/c1-16(8-6-11-21(3,4)24)9-7-12-22(5)13-10-18-19(23)14-17(2)15-20(18)25-22/h6,9-11,13-15,23-24H,7-8,12H2,1-5H3/b11-6+,16-9+
InChIKeyHNSJSAWPTOJTEL-UPFKAIBTSA-N
XLogP5.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol?
The IUPAC name of 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol (CID 10308835) is 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol.
What is the SMILES notation for 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol?
The canonical SMILES for 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol is C/C(=C\CCC1(C)C=Cc2c(O)cc(C)cc2O1)C/C=C/C(C)(C)O.
What is the InChIKey of 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol?
The InChIKey is HNSJSAWPTOJTEL-UPFKAIBTSA-N. The full InChI is InChI=1S/C22H30O3/c1-16(8-6-11-21(3,4)24)9-7-12-22(5)13-10-18-19(23)14-17(2)15-20(18)25-22/h6,9-11,13-15,23-24H,7-8,12H2,1-5H3/b11-6+,16-9+.
What are the key properties of 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol?
2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol has a molecular weight of 342.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,6E)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol is sourced from PubChem (CID 10308835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).