1-tert-butyl-4-[(E)-prop-1-enoxy]benzene

C13H18O — CID 641282

IUPAC1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H18O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5-10H,1-4H3/b10-5+
InChIKeyPERZZHNRNWTTSO-BJMVGYQFSA-N
MW190.29 g/mol
LogP3.90
Rot. Bonds2

About 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene

1-tert-butyl-4-[(E)-prop-1-enoxy]benzene (PubChem CID 641282) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
PubChem CID641282
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
SMILESC/C=C/Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H18O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5-10H,1-4H3/b10-5+
InChIKeyPERZZHNRNWTTSO-BJMVGYQFSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.90
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

(4-tert-butylphenyl) formate
CID 15727718
1-[(E)-but-2-enoxy]-4-tert-butylbenzene
CID 59776904
1-prop-1-enoxy-4-propylbenzene
CID 172744984
diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
CID 140816196
1-tert-butyl-4-(prop-1-enoxymethyl)benzene
CID 56615237
1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
CID 143090880
1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
CID 145118363
N-(4-tert-butylphenoxy)methanamine
CID 170041711
(4-tert-butylphenoxy)-methylalumanylium
CID 21461042
1-tert-butyl-4-methylsulfanyloxybenzene
CID 14212448
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-tert-butyl-4-[(E)-5,5-dimethylhex-2-enoxy]benzene
CID 157186336

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene?
The IUPAC name of 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene (CID 641282) is 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene?
The canonical SMILES for 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene is C/C=C/Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene?
The InChIKey is PERZZHNRNWTTSO-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H18O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5-10H,1-4H3/b10-5+.
What are the key properties of 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene?
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(E)-prop-1-enoxy]benzene is sourced from PubChem (CID 641282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).