1-tert-butyl-4-(prop-1-enoxymethyl)benzene

C14H20O — CID 56615237

IUPAC1-tert-butyl-4-(prop-1-enoxymethyl)benzene
SMILESCC=COCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h5-10H,11H2,1-4H3
InChIKeyIEIFJAHKQQONNV-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.03
Rot. Bonds3

About 1-tert-butyl-4-(prop-1-enoxymethyl)benzene

1-tert-butyl-4-(prop-1-enoxymethyl)benzene (PubChem CID 56615237) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-tert-butyl-4-(prop-1-enoxymethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(prop-1-enoxymethyl)benzene
PubChem CID56615237
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-tert-butyl-4-(prop-1-enoxymethyl)benzene
SMILESCC=COCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h5-10H,11H2,1-4H3
InChIKeyIEIFJAHKQQONNV-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.03
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-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
CID 641282
1-tert-butyl-4-(trioxidanylmethyl)benzene
CID 88578180
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-tert-butyl-4-ethylbenzene
CID 157359507
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
CID 110470259
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
CID 162424412
CID 162424412
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(prop-1-enoxymethyl)benzene?
The IUPAC name of 1-tert-butyl-4-(prop-1-enoxymethyl)benzene (CID 56615237) is 1-tert-butyl-4-(prop-1-enoxymethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(prop-1-enoxymethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(prop-1-enoxymethyl)benzene is CC=COCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(prop-1-enoxymethyl)benzene?
The InChIKey is IEIFJAHKQQONNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(prop-1-enoxymethyl)benzene?
1-tert-butyl-4-(prop-1-enoxymethyl)benzene has a molecular weight of 204.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(prop-1-enoxymethyl)benzene is sourced from PubChem (CID 56615237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).