1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene

C14H20O — CID 143090880

IUPAC1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
SMILESC/C=C(\C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-6-11(2)15-13-9-7-12(8-10-13)14(3,4)5/h6-10H,1-5H3/b11-6+
InChIKeyZJIYSRQNZVXBDF-IZZDOVSWSA-N
MW204.31 g/mol
LogP4.29
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene

1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene (PubChem CID 143090880) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
PubChem CID143090880
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
SMILESC/C=C(\C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-6-11(2)15-13-9-7-12(8-10-13)14(3,4)5/h6-10H,1-5H3/b11-6+
InChIKeyZJIYSRQNZVXBDF-IZZDOVSWSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-but-2-en-2-yl]oxy-4-methylbenzene
CID 89339068
(4-tert-butylphenoxy)methanethioic S-acid
CID 87914194
1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
CID 145118363
bis(4-tert-butylphenyl) propanedioate
CID 56991121
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
CID 641282
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
1-(4-tert-butylphenyl)-3-[(4-hexa-2,4-dien-2-yloxyphenyl)methyl]urea
CID 123668583
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
(4-tert-butylphenyl) formate
CID 15727718
bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane
CID 162204319
1-tert-butyl-4-[2-methyl-1-(4-phenylphenyl)prop-1-enoxy]benzene
CID 100928852

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene (CID 143090880) is 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene is C/C=C(\C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene?
The InChIKey is ZJIYSRQNZVXBDF-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H20O/c1-6-11(2)15-13-9-7-12(8-10-13)14(3,4)5/h6-10H,1-5H3/b11-6+.
What are the key properties of 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene?
1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene has a molecular weight of 204.31 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene is sourced from PubChem (CID 143090880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).