2-tert-butyl-1-methyl-3-prop-2-enoxybenzene

C14H20O — CID 146377122

IUPAC2-tert-butyl-1-methyl-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(C)c1C(C)(C)C
InChIInChI=1S/C14H20O/c1-6-10-15-12-9-7-8-11(2)13(12)14(3,4)5/h6-9H,1,10H2,2-5H3
InChIKeyUXTVEYISRYRCDS-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.86
Rot. Bonds3

About 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene

2-tert-butyl-1-methyl-3-prop-2-enoxybenzene (PubChem CID 146377122) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-3-prop-2-enoxybenzene
PubChem CID146377122
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-tert-butyl-1-methyl-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(C)c1C(C)(C)C
InChIInChI=1S/C14H20O/c1-6-10-15-12-9-7-8-11(2)13(12)14(3,4)5/h6-9H,1,10H2,2-5H3
InChIKeyUXTVEYISRYRCDS-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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-tert-butyl-2-prop-2-enoxybenzene
CID 637356
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
(2-tert-butyl-3-methylphenyl) dihydrogen phosphite
CID 67914227
2,3-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43765631
1-chloro-2-(2-methylphenyl)-3-prop-2-enoxybenzene
CID 69117900
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
(2-methyl-6-prop-2-enoxyphenyl) butanoate
CID 174356346
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
2-prop-2-enoxybenzenesulfonamide
CID 13321757
1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one
CID 72551323
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene?
The IUPAC name of 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene (CID 146377122) is 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene.
What is the SMILES notation for 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene?
The canonical SMILES for 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene is C=CCOc1cccc(C)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene?
The InChIKey is UXTVEYISRYRCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-6-10-15-12-9-7-8-11(2)13(12)14(3,4)5/h6-9H,1,10H2,2-5H3.
What are the key properties of 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene?
2-tert-butyl-1-methyl-3-prop-2-enoxybenzene has a molecular weight of 204.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-3-prop-2-enoxybenzene is sourced from PubChem (CID 146377122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).