1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene

C33H45F — CID 59950119

IUPAC1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCC(=Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C)C1CCC(C/C=C/F)CC1
InChIInChI=1S/C33H45F/c1-19(30-15-13-29(14-16-30)12-11-17-34)18-31-23(5)27(9)33(28(10)24(31)6)32-25(7)21(3)20(2)22(4)26(32)8/h11,17-18,29-30H,12-16H2,1-10H3/b17-11+,19-18?
InChIKeyRZPNVMIZSGJFGA-PYONUKAGSA-N
MW460.72 g/mol
LogP10.21
Rot. Bonds5

About 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene

1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene (PubChem CID 59950119) has the molecular formula C33H45F and a molecular weight of 460.72 g/mol. Its IUPAC name is 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene.

Molecular Properties

Compound Name1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
PubChem CID59950119
Molecular FormulaC33H45F
Molecular Weight460.72 g/mol
Exact Mass460.35
IUPAC Name1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
SMILESCC(=Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C)C1CCC(C/C=C/F)CC1
InChIInChI=1S/C33H45F/c1-19(30-15-13-29(14-16-30)12-11-17-34)18-31-23(5)27(9)33(28(10)24(31)6)32-25(7)21(3)20(2)22(4)26(32)8/h11,17-18,29-30H,12-16H2,1-10H3/b17-11+,19-18?
InChIKeyRZPNVMIZSGJFGA-PYONUKAGSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.72
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
The IUPAC name of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene (CID 59950119) is 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene.
What is the SMILES notation for 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
The canonical SMILES for 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene is CC(=Cc1c(C)c(C)c(-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C)C1CCC(C/C=C/F)CC1.
What is the InChIKey of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
The InChIKey is RZPNVMIZSGJFGA-PYONUKAGSA-N. The full InChI is InChI=1S/C33H45F/c1-19(30-15-13-29(14-16-30)12-11-17-34)18-31-23(5)27(9)33(28(10)24(31)6)32-25(7)21(3)20(2)22(4)26(32)8/h11,17-18,29-30H,12-16H2,1-10H3/b17-11+,19-18?.
What are the key properties of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene?
1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene has a molecular weight of 460.72 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene is sourced from PubChem (CID 59950119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).