1-(2,2-dimethylpent-4-enyl)-4-methylbenzene

C14H20 — CID 20825972

IUPAC1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
SMILESC=CCC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H20/c1-5-10-14(3,4)11-13-8-6-12(2)7-9-13/h5-9H,1,10-11H2,2-4H3
InChIKeyKHPFITRVQSGRFL-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene

1-(2,2-dimethylpent-4-enyl)-4-methylbenzene (PubChem CID 20825972) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
PubChem CID20825972
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
SMILESC=CCC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C14H20/c1-5-10-14(3,4)11-13-8-6-12(2)7-9-13/h5-9H,1,10-11H2,2-4H3
InChIKeyKHPFITRVQSGRFL-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene?
The IUPAC name of 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene (CID 20825972) is 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene.
What is the SMILES notation for 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene?
The canonical SMILES for 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene is C=CCC(C)(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene?
The InChIKey is KHPFITRVQSGRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-5-10-14(3,4)11-13-8-6-12(2)7-9-13/h5-9H,1,10-11H2,2-4H3.
What are the key properties of 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene?
1-(2,2-dimethylpent-4-enyl)-4-methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpent-4-enyl)-4-methylbenzene is sourced from PubChem (CID 20825972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).