2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene

C19H30O — CID 83934383

IUPAC2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1ccc(OCC)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-7-9-10-15(3)13-16-11-12-18(20-8-2)17(14-16)19(4,5)6/h9-12,14-15H,7-8,13H2,1-6H3/b10-9-
InChIKeyUHFGMBYWSYECKC-KTKRTIGZSA-N
MW274.45 g/mol
LogP5.53
Rot. Bonds6

About 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene

2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene (PubChem CID 83934383) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene.

Molecular Properties

Compound Name2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene
PubChem CID83934383
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene
SMILESCC/C=C\C(C)Cc1ccc(OCC)c(C(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-7-9-10-15(3)13-16-11-12-18(20-8-2)17(14-16)19(4,5)6/h9-12,14-15H,7-8,13H2,1-6H3/b10-9-
InChIKeyUHFGMBYWSYECKC-KTKRTIGZSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.53
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-[(Z)-2-methylhex-3-enyl]-1-(2-methylpropoxy)benzene
CID 83934613
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
4-(3-tert-butyl-4-ethoxyphenyl)butanenitrile
CID 83934358
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
1-chloro-2,4-diethoxy-5-[(Z)-2-methylhex-3-enyl]benzene
CID 83943475
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489
2-[1-(3-tert-butyl-4-propoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83934518
2-bromo-1-ethoxy-4-(2-methylbut-3-enyl)benzene
CID 83926250
3-(3-tert-butyl-4-ethoxyphenyl)butanethioamide
CID 83934342

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene?
The IUPAC name of 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene (CID 83934383) is 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene.
What is the SMILES notation for 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene?
The canonical SMILES for 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene is CC/C=C\C(C)Cc1ccc(OCC)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene?
The InChIKey is UHFGMBYWSYECKC-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H30O/c1-7-9-10-15(3)13-16-11-12-18(20-8-2)17(14-16)19(4,5)6/h9-12,14-15H,7-8,13H2,1-6H3/b10-9-.
What are the key properties of 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene?
2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene has a molecular weight of 274.45 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene is sourced from PubChem (CID 83934383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).