2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene

C24H35F — CID 134479253

IUPAC2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene
SMILESC=C(CC(C)CC)/C(=C(/C)CC)c1c(C)cc(F)cc1C(=C)C(C)C
InChIInChI=1S/C24H35F/c1-10-16(5)12-18(7)23(17(6)11-2)24-19(8)13-21(25)14-22(24)20(9)15(3)4/h13-16H,7,9-12H2,1-6,8H3/b23-17+
InChIKeyZMDOIMHTGBCORL-HAVVHWLPSA-N
MW342.54 g/mol
LogP7.98
Rot. Bonds8

About 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene

2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene (PubChem CID 134479253) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene.

Molecular Properties

Compound Name2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene
PubChem CID134479253
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene
SMILESC=C(CC(C)CC)/C(=C(/C)CC)c1c(C)cc(F)cc1C(=C)C(C)C
InChIInChI=1S/C24H35F/c1-10-16(5)12-18(7)23(17(6)11-2)24-19(8)13-21(25)14-22(24)20(9)15(3)4/h13-16H,7,9-12H2,1-6,8H3/b23-17+
InChIKeyZMDOIMHTGBCORL-HAVVHWLPSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine
CID 106877255
1,5-difluoro-2-[(3Z)-4-fluoro-6-methyl-5-methylidenehepta-1,3-dien-3-yl]-3-methylbenzene
CID 144912091
2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
CID 155697638
4-methyl-2-methylidenehexanamide
CID 87496757
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
ethyl 4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutanoate
CID 171897215
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
1,3,5-trimethyl-2-(4-methylpent-1-en-2-yl)-4-(3-methylpentyl)benzene
CID 143696320
5-fluoro-1,3-dimethyl-2-[(3E)-3-[(2-methylphenyl)methylidene]pent-1-en-2-yl]benzene
CID 146386330
2,4-dimethylhex-1-ene;1-fluoro-2-propylbenzene;methanamine;propane
CID 144515584
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205
(1R)-1-(3,5-difluorophenyl)-3-methylbut-3-en-1-amine
CID 131002323

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene?
The IUPAC name of 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene (CID 134479253) is 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene.
What is the SMILES notation for 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene?
The canonical SMILES for 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene is C=C(CC(C)CC)/C(=C(/C)CC)c1c(C)cc(F)cc1C(=C)C(C)C.
What is the InChIKey of 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene?
The InChIKey is ZMDOIMHTGBCORL-HAVVHWLPSA-N. The full InChI is InChI=1S/C24H35F/c1-10-16(5)12-18(7)23(17(6)11-2)24-19(8)13-21(25)14-22(24)20(9)15(3)4/h13-16H,7,9-12H2,1-6,8H3/b23-17+.
What are the key properties of 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene?
2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene has a molecular weight of 342.54 g/mol, XLogP of 7.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,7-dimethyl-5-methylidenenon-3-en-4-yl]-5-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)benzene is sourced from PubChem (CID 134479253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).