1-tert-butyl-2-prop-2-enoxybenzene

C13H18O — CID 637356

IUPAC1-tert-butyl-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1C(C)(C)C
InChIInChI=1S/C13H18O/c1-5-10-14-12-9-7-6-8-11(12)13(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyACDMECIMTJZSCW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.55
Rot. Bonds3

About 1-tert-butyl-2-prop-2-enoxybenzene

1-tert-butyl-2-prop-2-enoxybenzene (PubChem CID 637356) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-tert-butyl-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-prop-2-enoxybenzene
PubChem CID637356
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-tert-butyl-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1C(C)(C)C
InChIInChI=1S/C13H18O/c1-5-10-14-12-9-7-6-8-11(12)13(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyACDMECIMTJZSCW-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.55
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

1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
2-tert-butyl-1-methyl-3-prop-2-enoxybenzene
CID 146377122
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
3-(2-tert-butylphenoxy)-2,2-dimethylpropan-1-amine
CID 79018629

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-prop-2-enoxybenzene?
The IUPAC name of 1-tert-butyl-2-prop-2-enoxybenzene (CID 637356) is 1-tert-butyl-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-tert-butyl-2-prop-2-enoxybenzene?
The canonical SMILES for 1-tert-butyl-2-prop-2-enoxybenzene is C=CCOc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-prop-2-enoxybenzene?
The InChIKey is ACDMECIMTJZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-5-10-14-12-9-7-6-8-11(12)13(2,3)4/h5-9H,1,10H2,2-4H3.
What are the key properties of 1-tert-butyl-2-prop-2-enoxybenzene?
1-tert-butyl-2-prop-2-enoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-prop-2-enoxybenzene is sourced from PubChem (CID 637356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).