1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene

C15H22 — CID 169120124

IUPAC1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene
SMILESC=C(C)CC(CC)Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-5-14(10-12(2)3)11-15-8-6-13(4)7-9-15/h6-9,14H,2,5,10-11H2,1,3-4H3
InChIKeyCCRYPNXITMFVGG-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.53
Rot. Bonds5

About 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene

1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene (PubChem CID 169120124) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene
PubChem CID169120124
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene
SMILESC=C(C)CC(CC)Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-5-14(10-12(2)3)11-15-8-6-13(4)7-9-15/h6-9,14H,2,5,10-11H2,1,3-4H3
InChIKeyCCRYPNXITMFVGG-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.53
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene?
The IUPAC name of 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene (CID 169120124) is 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene?
The canonical SMILES for 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene is C=C(C)CC(CC)Cc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene?
The InChIKey is CCRYPNXITMFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-14(10-12(2)3)11-15-8-6-13(4)7-9-15/h6-9,14H,2,5,10-11H2,1,3-4H3.
What are the key properties of 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene?
1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylpent-4-enyl)-4-methylbenzene is sourced from PubChem (CID 169120124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).