2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene

C14H18 — CID 143489955

IUPAC2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
SMILESC=C(C)C(=C)Cc1ccc(C)cc1C
InChIInChI=1S/C14H18/c1-10(2)12(4)9-14-7-6-11(3)8-13(14)5/h6-8H,1,4,9H2,2-3,5H3
InChIKeyCHKCDWAPQJZDFA-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.98
Rot. Bonds3

About 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene

2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene (PubChem CID 143489955) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
PubChem CID143489955
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
SMILESC=C(C)C(=C)Cc1ccc(C)cc1C
InChIInChI=1S/C14H18/c1-10(2)12(4)9-14-7-6-11(3)8-13(14)5/h6-8H,1,4,9H2,2-3,5H3
InChIKeyCHKCDWAPQJZDFA-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.98
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

(NE)-N-[1-(2,4-dimethylphenyl)propan-2-ylidene]hydroxylamine
CID 24721590
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene
CID 145385703
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2,2-dichloro-3-(2,4-dimethylphenyl)propanenitrile
CID 116817554
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
4-[(2,5-dimethylphenyl)methyl]-4-hydroxy-2,6-dimethylhepta-1,6-diene-3,5-dione
CID 66849488
5-acetyl-N-[(2,4-dimethylphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18117131
1-(2-chloro-4-methylphenyl)-3-methylbut-3-en-2-one
CID 106867179
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene?
The IUPAC name of 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene (CID 143489955) is 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene.
What is the SMILES notation for 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene?
The canonical SMILES for 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene is C=C(C)C(=C)Cc1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene?
The InChIKey is CHKCDWAPQJZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10(2)12(4)9-14-7-6-11(3)8-13(14)5/h6-8H,1,4,9H2,2-3,5H3.
What are the key properties of 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene?
2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene has a molecular weight of 186.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene is sourced from PubChem (CID 143489955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).