1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene

C24H34O — CID 18347314

IUPAC1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1C(CC)(CC)C1=CCC=C1
InChIInChI=1S/C24H34O/c1-8-15-25-22-20(23(5,6)7)16-18(4)17-21(22)24(9-2,10-3)19-13-11-12-14-19/h8,11,13-14,16-17H,1,9-10,12,15H2,2-7H3
InChIKeySEYVYUBERKITIA-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.80
Rot. Bonds7

About 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene

1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene (PubChem CID 18347314) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene
PubChem CID18347314
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene
SMILESC=CCOc1c(C(C)(C)C)cc(C)cc1C(CC)(CC)C1=CCC=C1
InChIInChI=1S/C24H34O/c1-8-15-25-22-20(23(5,6)7)16-18(4)17-21(22)24(9-2,10-3)19-13-11-12-14-19/h8,11,13-14,16-17H,1,9-10,12,15H2,2-7H3
InChIKeySEYVYUBERKITIA-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene?
The IUPAC name of 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene (CID 18347314) is 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene?
The canonical SMILES for 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene is C=CCOc1c(C(C)(C)C)cc(C)cc1C(CC)(CC)C1=CCC=C1.
What is the InChIKey of 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene?
The InChIKey is SEYVYUBERKITIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-8-15-25-22-20(23(5,6)7)16-18(4)17-21(22)24(9-2,10-3)19-13-11-12-14-19/h8,11,13-14,16-17H,1,9-10,12,15H2,2-7H3.
What are the key properties of 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene?
1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene has a molecular weight of 338.54 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene is sourced from PubChem (CID 18347314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).