4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene

C14H20 — CID 135010442

IUPAC4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
SMILESCc1ccc(C=CC(C)(C)C)cc1C
InChIInChI=1S/C14H20/c1-11-6-7-13(10-12(11)2)8-9-14(3,4)5/h6-10H,1-5H3
InChIKeyZYHSVXOXMYAPLH-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.36
Rot. Bonds1

About 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene

4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene (PubChem CID 135010442) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
PubChem CID135010442
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
SMILESCc1ccc(C=CC(C)(C)C)cc1C
InChIInChI=1S/C14H20/c1-11-6-7-13(10-12(11)2)8-9-14(3,4)5/h6-10H,1-5H3
InChIKeyZYHSVXOXMYAPLH-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene (CID 135010442) is 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene is Cc1ccc(C=CC(C)(C)C)cc1C.
What is the InChIKey of 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene?
The InChIKey is ZYHSVXOXMYAPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-11-6-7-13(10-12(11)2)8-9-14(3,4)5/h6-10H,1-5H3.
What are the key properties of 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene?
4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene is sourced from PubChem (CID 135010442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).