tert-butyl (4-butylphenyl) carbonate

C15H22O3 — CID 22625486

IUPACtert-butyl (4-butylphenyl) carbonate
SMILESCCCCc1ccc(OC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22O3/c1-5-6-7-12-8-10-13(11-9-12)17-14(16)18-15(2,3)4/h8-11H,5-7H2,1-4H3
InChIKeyGKULOKUDKOETNX-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.34
Rot. Bonds4

About tert-butyl (4-butylphenyl) carbonate

tert-butyl (4-butylphenyl) carbonate (PubChem CID 22625486) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl (4-butylphenyl) carbonate.

Molecular Properties

Compound Nametert-butyl (4-butylphenyl) carbonate
PubChem CID22625486
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nametert-butyl (4-butylphenyl) carbonate
SMILESCCCCc1ccc(OC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22O3/c1-5-6-7-12-8-10-13(11-9-12)17-14(16)18-15(2,3)4/h8-11H,5-7H2,1-4H3
InChIKeyGKULOKUDKOETNX-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (4-butylphenyl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl [4-[3-[5-[3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propoxy]hexa-1,5-dien-2-yloxy]propyl]phenyl] carbonate
CID 123447556
[4-(3-amino-3-oxopropyl)phenyl] tert-butyl carbonate
CID 142840063
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
methyl (4-octylphenyl) carbonate
CID 118690298
bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
(4-decylphenyl) methyl carbonate
CID 118690238
ethyl (4-pentylphenyl) carbonate
CID 118690159
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550
bis[3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl] 2-ethyl-3-propylcyclopropane-1,1-dicarboxylate;ethane
CID 144696874
butyl (4-decylphenyl) carbonate
CID 118690266
(4-butylphenyl) 2-hexyl-2-methyldecanoate
CID 138503808
tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-butylphenyl) carbonate?
The IUPAC name of tert-butyl (4-butylphenyl) carbonate (CID 22625486) is tert-butyl (4-butylphenyl) carbonate.
What is the SMILES notation for tert-butyl (4-butylphenyl) carbonate?
The canonical SMILES for tert-butyl (4-butylphenyl) carbonate is CCCCc1ccc(OC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (4-butylphenyl) carbonate?
The InChIKey is GKULOKUDKOETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-6-7-12-8-10-13(11-9-12)17-14(16)18-15(2,3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of tert-butyl (4-butylphenyl) carbonate?
tert-butyl (4-butylphenyl) carbonate has a molecular weight of 250.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-butylphenyl) carbonate is sourced from PubChem (CID 22625486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).