2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene

C20H32O — CID 83934607

IUPAC2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
SMILESC=CCC(CC)c1ccc(OCC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C20H32O/c1-8-10-16(9-2)17-11-12-19(21-14-15(3)4)18(13-17)20(5,6)7/h8,11-13,15-16H,1,9-10,14H2,2-7H3
InChIKeyOUFBMIIYQWIECH-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.09
Rot. Bonds7

About 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene

2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene (PubChem CID 83934607) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
PubChem CID83934607
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
SMILESC=CCC(CC)c1ccc(OCC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C20H32O/c1-8-10-16(9-2)17-11-12-19(21-14-15(3)4)18(13-17)20(5,6)7/h8,11-13,15-16H,1,9-10,14H2,2-7H3
InChIKeyOUFBMIIYQWIECH-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylbenzene
CID 83939238
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628
1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 82263941
2-tert-butyl-4-hept-1-yn-4-yl-1-(2-methylpropoxy)benzene
CID 83934601
4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033
5-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-one
CID 83934538
2,4-diamino-1-[3-tert-butyl-4-(2-methylpropoxy)phenyl]butan-1-ol
CID 83934562
3-tert-butyl-4-(2-methylpropoxy)benzonitrile
CID 82263936
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
2-tert-butyl-4-[(Z)-2-methylhex-3-enyl]-1-(2-methylpropoxy)benzene
CID 83934613
1-(2-tert-butyl-4-prop-2-enylphenoxy)propan-2-amine
CID 67800851
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene?
The IUPAC name of 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene (CID 83934607) is 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene?
The canonical SMILES for 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene is C=CCC(CC)c1ccc(OCC(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene?
The InChIKey is OUFBMIIYQWIECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-8-10-16(9-2)17-11-12-19(21-14-15(3)4)18(13-17)20(5,6)7/h8,11-13,15-16H,1,9-10,14H2,2-7H3.
What are the key properties of 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene?
2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene has a molecular weight of 288.48 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 83934607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).