1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene

C22H28 — CID 142929986

IUPAC1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene
SMILESCCCC(CCC)=C(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C22H28/c1-5-10-19(11-6-2)22(20-12-8-7-9-13-20)21-16-17(3)14-15-18(21)4/h7-9,12-16H,5-6,10-11H2,1-4H3
InChIKeyFVGYIBXCZMTKCX-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.71
Rot. Bonds6

About 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene

1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene (PubChem CID 142929986) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene
PubChem CID142929986
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene
SMILESCCCC(CCC)=C(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C22H28/c1-5-10-19(11-6-2)22(20-12-8-7-9-13-20)21-16-17(3)14-15-18(21)4/h7-9,12-16H,5-6,10-11H2,1-4H3
InChIKeyFVGYIBXCZMTKCX-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene?
The IUPAC name of 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene (CID 142929986) is 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene?
The canonical SMILES for 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene is CCCC(CCC)=C(c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene?
The InChIKey is FVGYIBXCZMTKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-5-10-19(11-6-2)22(20-12-8-7-9-13-20)21-16-17(3)14-15-18(21)4/h7-9,12-16H,5-6,10-11H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene?
1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene has a molecular weight of 292.47 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(1-phenyl-2-propylpent-1-enyl)benzene is sourced from PubChem (CID 142929986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).