1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane

C24H32F8 — CID 138629058

IUPAC1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane
SMILESC=C(C)C(=C)CCC1C2C1(C)C2(C)C1(F)C(F)(F)C1(F)C(F)(C(C)C)C(C)(F)C(C)(F)F
InChIInChI=1S/C24H32F8/c1-12(2)14(5)10-11-15-16-17(15,6)18(16,7)22(29)23(30,24(22,31)32)21(28,13(3)4)19(8,25)20(9,26)27/h13,15-16H,1,5,10-11H2,2-4,6-9H3
InChIKeyZICJCCLAUFJBFC-UHFFFAOYSA-N
MW472.50 g/mol
LogP7.98
Rot. Bonds9

About 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane

1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane (PubChem CID 138629058) has the molecular formula C24H32F8 and a molecular weight of 472.50 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane
PubChem CID138629058
Molecular FormulaC24H32F8
Molecular Weight472.50 g/mol
Exact Mass472.24
IUPAC Name1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane
SMILESC=C(C)C(=C)CCC1C2C1(C)C2(C)C1(F)C(F)(F)C1(F)C(F)(C(C)C)C(C)(F)C(C)(F)F
InChIInChI=1S/C24H32F8/c1-12(2)14(5)10-11-15-16-17(15,6)18(16,7)22(29)23(30,24(22,31)32)21(28,13(3)4)19(8,25)20(9,26)27/h13,15-16H,1,5,10-11H2,2-4,6-9H3
InChIKeyZICJCCLAUFJBFC-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.50
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane?
The IUPAC name of 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane (CID 138629058) is 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane.
What is the SMILES notation for 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane?
The canonical SMILES for 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane is C=C(C)C(=C)CCC1C2C1(C)C2(C)C1(F)C(F)(F)C1(F)C(F)(C(C)C)C(C)(F)C(C)(F)F.
What is the InChIKey of 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane?
The InChIKey is ZICJCCLAUFJBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F8/c1-12(2)14(5)10-11-15-16-17(15,6)18(16,7)22(29)23(30,24(22,31)32)21(28,13(3)4)19(8,25)20(9,26)27/h13,15-16H,1,5,10-11H2,2-4,6-9H3.
What are the key properties of 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane?
1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane has a molecular weight of 472.50 g/mol, XLogP of 7.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-methyl-3-methylidenepent-4-enyl)-2-[1,2,2,3-tetrafluoro-3-(3,4,5,5-tetrafluoro-2,4-dimethylhexan-3-yl)cyclopropyl]bicyclo[1.1.0]butane is sourced from PubChem (CID 138629058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).