6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene

C26H37FO — CID 10022930

IUPAC6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(F)ccc2O1
InChIInChI=1S/C26H37FO/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
InChIKeyYWPZAIJLHVVHFP-ZGRPYONQSA-N
MW384.58 g/mol
LogP8.11
Rot. Bonds9

About 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene

6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene (PubChem CID 10022930) has the molecular formula C26H37FO and a molecular weight of 384.58 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene.

Molecular Properties

Compound Name6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
PubChem CID10022930
Molecular FormulaC26H37FO
Molecular Weight384.58 g/mol
Exact Mass384.28
IUPAC Name6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(F)ccc2O1
InChIInChI=1S/C26H37FO/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
InChIKeyYWPZAIJLHVVHFP-ZGRPYONQSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.58
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?
The IUPAC name of 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene (CID 10022930) is 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene.
What is the SMILES notation for 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?
The canonical SMILES for 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?
The InChIKey is YWPZAIJLHVVHFP-ZGRPYONQSA-N. The full InChI is InChI=1S/C26H37FO/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+.
What are the key properties of 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene?
6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene has a molecular weight of 384.58 g/mol, XLogP of 8.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene is sourced from PubChem (CID 10022930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).