1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene

C15H20 — CID 142980619

IUPAC1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene
SMILESC=Cc1ccc(C)c(CC=C(C)C)c1C
InChIInChI=1S/C15H20/c1-6-14-9-8-12(4)15(13(14)5)10-7-11(2)3/h6-9H,1,10H2,2-5H3
InChIKeyRTJFWMXFRHJRCW-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.46
Rot. Bonds3

About 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene

1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene (PubChem CID 142980619) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene
PubChem CID142980619
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene
SMILESC=Cc1ccc(C)c(CC=C(C)C)c1C
InChIInChI=1S/C15H20/c1-6-14-9-8-12(4)15(13(14)5)10-7-11(2)3/h6-9H,1,10H2,2-5H3
InChIKeyRTJFWMXFRHJRCW-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
1-ethenyl-3,4-diethyl-2-methylbenzene
CID 54110697
3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one
CID 174912538
1-ethenyl-4-(3-methylbut-2-enyl)benzene
CID 13229547
5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol
CID 141326802
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
CID 91460835
1,2,3,4,5-pentafluoro-6-(3-methylbut-2-enyl)benzene
CID 11253334
3-ethenyl-2-methylphenol
CID 22336775
(Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 58433894
2-ethenyl-1,7-dimethylnaphthalene
CID 142881924
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene?
The IUPAC name of 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene (CID 142980619) is 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene.
What is the SMILES notation for 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene?
The canonical SMILES for 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene is C=Cc1ccc(C)c(CC=C(C)C)c1C.
What is the InChIKey of 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene?
The InChIKey is RTJFWMXFRHJRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-6-14-9-8-12(4)15(13(14)5)10-7-11(2)3/h6-9H,1,10H2,2-5H3.
What are the key properties of 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene?
1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene has a molecular weight of 200.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene is sourced from PubChem (CID 142980619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).