2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene

C18H28O — CID 83936789

IUPAC2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
SMILESCC/C=C\CC(C)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O/c1-7-8-9-10-14(2)15-11-12-17(19-6)16(13-15)18(3,4)5/h8-9,11-14H,7,10H2,1-6H3/b9-8-
InChIKeyJVYUEUGLLKRQGV-HJWRWDBZSA-N
MW260.42 g/mol
LogP5.45
Rot. Bonds5

About 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene

2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene (PubChem CID 83936789) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
PubChem CID83936789
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
SMILESCC/C=C\CC(C)c1ccc(OC)c(C(C)(C)C)c1
InChIInChI=1S/C18H28O/c1-7-8-9-10-14(2)15-11-12-17(19-6)16(13-15)18(3,4)5/h8-9,11-14H,7,10H2,1-6H3/b9-8-
InChIKeyJVYUEUGLLKRQGV-HJWRWDBZSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.45
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

4-[(Z)-hept-4-en-2-yl]-1,2-dimethoxybenzene
CID 83928870
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
3-(3-tert-butyl-4-ethoxyphenyl)butanethioamide
CID 83934342
2-tert-butyl-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83934352
1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 112510497
1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene
CID 83936348
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene?
The IUPAC name of 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene (CID 83936789) is 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene.
What is the SMILES notation for 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene?
The canonical SMILES for 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene is CC/C=C\CC(C)c1ccc(OC)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene?
The InChIKey is JVYUEUGLLKRQGV-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H28O/c1-7-8-9-10-14(2)15-11-12-17(19-6)16(13-15)18(3,4)5/h8-9,11-14H,7,10H2,1-6H3/b9-8-.
What are the key properties of 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene?
2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene has a molecular weight of 260.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene is sourced from PubChem (CID 83936789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).