1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene

C25H38 — CID 143676893

IUPAC1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene
SMILESC=CC(=C)CCCCC(=C)CCc1cc(C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C25H38/c1-9-20(4)12-10-11-13-21(5)14-15-22-16-23(19(2)3)18-24(17-22)25(6,7)8/h9,16-19H,1,4-5,10-15H2,2-3,6-8H3
InChIKeyFECXEBJCGVGFHG-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.90
Rot. Bonds10

About 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene

1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene (PubChem CID 143676893) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene
PubChem CID143676893
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Name1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene
SMILESC=CC(=C)CCCCC(=C)CCc1cc(C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C25H38/c1-9-20(4)12-10-11-13-21(5)14-15-22-16-23(19(2)3)18-24(17-22)25(6,7)8/h9,16-19H,1,4-5,10-15H2,2-3,6-8H3
InChIKeyFECXEBJCGVGFHG-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1-aminoethyl)-5-tert-butylphenyl]butan-1-amine
CID 70645554
1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene
CID 144594995
4-[3-tert-butyl-5-(3,3-dimethylbutan-2-yl)phenyl]butan-1-amine
CID 70646238
11,11,15-trimethyl-3-methylidenehexadec-1-ene
CID 176767312
azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene
CID 170745026
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
3-(3,5-ditert-butylphenyl)propanamide
CID 58456414
1-[3,5-bis(3-methylidenedodecyl)phenyl]-N,N-dimethylmethanamine
CID 146359719
[1-[2-(3-tert-butyl-5-propan-2-ylphenyl)ethyl]cyclobutyl]methanamine;[3-[2-(3-tert-butyl-5-propan-2-ylphenyl)ethyl]oxetan-3-yl]methanamine
CID 159429336
3-methylidenetridec-1-ene
CID 3776253
1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
CID 68591438

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene (CID 143676893) is 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene is C=CC(=C)CCCCC(=C)CCc1cc(C(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene?
The InChIKey is FECXEBJCGVGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38/c1-9-20(4)12-10-11-13-21(5)14-15-22-16-23(19(2)3)18-24(17-22)25(6,7)8/h9,16-19H,1,4-5,10-15H2,2-3,6-8H3.
What are the key properties of 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene?
1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene has a molecular weight of 338.58 g/mol, XLogP of 7.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,8-dimethylidenedec-9-enyl)-5-propan-2-ylbenzene is sourced from PubChem (CID 143676893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).