(5-tert-butyl-2-prop-2-enylphenyl) carbamate

C14H19NO2 — CID 3040322

IUPAC(5-tert-butyl-2-prop-2-enylphenyl) carbamate
SMILESC=CCc1ccc(C(C)(C)C)cc1OC(N)=O
InChIInChI=1S/C14H19NO2/c1-5-6-10-7-8-11(14(2,3)4)9-12(10)17-13(15)16/h5,7-9H,1,6H2,2-4H3,(H2,15,16)
InChIKeyYFDPFQKKLGVLOX-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.17
Rot. Bonds3

About (5-tert-butyl-2-prop-2-enylphenyl) carbamate

(5-tert-butyl-2-prop-2-enylphenyl) carbamate (PubChem CID 3040322) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5-tert-butyl-2-prop-2-enylphenyl) carbamate.

Molecular Properties

Compound Name(5-tert-butyl-2-prop-2-enylphenyl) carbamate
PubChem CID3040322
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5-tert-butyl-2-prop-2-enylphenyl) carbamate
SMILESC=CCc1ccc(C(C)(C)C)cc1OC(N)=O
InChIInChI=1S/C14H19NO2/c1-5-6-10-7-8-11(14(2,3)4)9-12(10)17-13(15)16/h5,7-9H,1,6H2,2-4H3,(H2,15,16)
InChIKeyYFDPFQKKLGVLOX-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-prop-2-enylphenyl) carbamate?
The IUPAC name of (5-tert-butyl-2-prop-2-enylphenyl) carbamate (CID 3040322) is (5-tert-butyl-2-prop-2-enylphenyl) carbamate.
What is the SMILES notation for (5-tert-butyl-2-prop-2-enylphenyl) carbamate?
The canonical SMILES for (5-tert-butyl-2-prop-2-enylphenyl) carbamate is C=CCc1ccc(C(C)(C)C)cc1OC(N)=O.
What is the InChIKey of (5-tert-butyl-2-prop-2-enylphenyl) carbamate?
The InChIKey is YFDPFQKKLGVLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-6-10-7-8-11(14(2,3)4)9-12(10)17-13(15)16/h5,7-9H,1,6H2,2-4H3,(H2,15,16).
What are the key properties of (5-tert-butyl-2-prop-2-enylphenyl) carbamate?
(5-tert-butyl-2-prop-2-enylphenyl) carbamate has a molecular weight of 233.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-prop-2-enylphenyl) carbamate is sourced from PubChem (CID 3040322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).