2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene

C17H26 — CID 83939238

IUPAC2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene
SMILESC=CCC(CC)c1ccc(C)c(C(C)(C)C)c1
InChIInChI=1S/C17H26/c1-7-9-14(8-2)15-11-10-13(3)16(12-15)17(4,5)6/h7,10-12,14H,1,8-9H2,2-6H3
InChIKeyOIDWACKNWYPAOC-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.36
Rot. Bonds4

About 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene

2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene (PubChem CID 83939238) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene.

Molecular Properties

Compound Name2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene
PubChem CID83939238
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene
SMILESC=CCC(CC)c1ccc(C)c(C(C)(C)C)c1
InChIInChI=1S/C17H26/c1-7-9-14(8-2)15-11-10-13(3)16(12-15)17(4,5)6/h7,10-12,14H,1,8-9H2,2-6H3
InChIKeyOIDWACKNWYPAOC-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.36
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

2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
CID 83934607
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033
1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
CID 83935882
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-butyl-4-hex-5-en-3-ylbenzene
CID 83921804
methyl 4-[(3R)-hex-5-en-3-yl]benzoate
CID 129405819
1-(4-hex-5-en-3-yl-2,6-dimethylphenyl)-2,3-dimethyl-4-[2-(3-methylpentan-3-yl)phenyl]-1,3-diazete-1,3-diium
CID 123713079
5-amino-2-(3-tert-butyl-4-methylphenyl)heptan-4-ol
CID 83939260
2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene
CID 83940386
2,6-ditert-butyl-4-[1-(4-methoxyphenyl)but-3-enyl]phenol
CID 132573747
2-hex-5-en-3-yl-4-methylphenol
CID 83922900

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene?
The IUPAC name of 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene (CID 83939238) is 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene.
What is the SMILES notation for 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene?
The canonical SMILES for 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene is C=CCC(CC)c1ccc(C)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene?
The InChIKey is OIDWACKNWYPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-7-9-14(8-2)15-11-10-13(3)16(12-15)17(4,5)6/h7,10-12,14H,1,8-9H2,2-6H3.
What are the key properties of 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene?
2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene has a molecular weight of 230.39 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene is sourced from PubChem (CID 83939238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).