1-but-3-enoxy-4-tert-butylbenzene

C14H20O — CID 42600781

IUPAC1-but-3-enoxy-4-tert-butylbenzene
SMILESC=CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4/h5,7-10H,1,6,11H2,2-4H3
InChIKeyPFRLMAKERNXDFO-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.94
Rot. Bonds4

About 1-but-3-enoxy-4-tert-butylbenzene

1-but-3-enoxy-4-tert-butylbenzene (PubChem CID 42600781) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-but-3-enoxy-4-tert-butylbenzene.

Molecular Properties

Compound Name1-but-3-enoxy-4-tert-butylbenzene
PubChem CID42600781
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-but-3-enoxy-4-tert-butylbenzene
SMILESC=CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H20O/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4/h5,7-10H,1,6,11H2,2-4H3
InChIKeyPFRLMAKERNXDFO-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
1-but-3-enoxy-4-[1-[4-[4-[4-[1-(4-but-3-enoxyphenyl)-1-phenylethyl]phenoxy]butoxy]phenyl]-1-phenylethyl]benzene
CID 158223803
2-(4-propoxyphenyl)hex-5-en-2-ol
CID 104656350
bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
CID 151425397
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
anisole;but-3-enoxybenzene
CID 174761838
(4-but-3-enoxyphenyl)-(4-methoxyphenyl)diazene
CID 71359272
N-(4-but-3-enoxyphenyl)acetamide
CID 11195080
N-[2-(4-tert-butylphenoxy)ethyl]-N-prop-2-enylacetamide
CID 84571474
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-4-tert-butylbenzene?
The IUPAC name of 1-but-3-enoxy-4-tert-butylbenzene (CID 42600781) is 1-but-3-enoxy-4-tert-butylbenzene.
What is the SMILES notation for 1-but-3-enoxy-4-tert-butylbenzene?
The canonical SMILES for 1-but-3-enoxy-4-tert-butylbenzene is C=CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-but-3-enoxy-4-tert-butylbenzene?
The InChIKey is PFRLMAKERNXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4/h5,7-10H,1,6,11H2,2-4H3.
What are the key properties of 1-but-3-enoxy-4-tert-butylbenzene?
1-but-3-enoxy-4-tert-butylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-4-tert-butylbenzene is sourced from PubChem (CID 42600781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).