tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate

C13H22O4 — CID 118458845

IUPACtert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
SMILESCC(C)(C)OC(=O)OC1/C=C\C(O)CCCC1
InChIInChI=1S/C13H22O4/c1-13(2,3)17-12(15)16-11-7-5-4-6-10(14)8-9-11/h8-11,14H,4-7H2,1-3H3/b9-8-
InChIKeyWNYXFFKGBQUNDA-HJWRWDBZSA-N
MW242.32 g/mol
LogP2.80
Rot. Bonds1

About tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate

tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate (PubChem CID 118458845) has the molecular formula C13H22O4 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
PubChem CID118458845
Molecular FormulaC13H22O4
Molecular Weight242.32 g/mol
Exact Mass242.15
IUPAC Nametert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
SMILESCC(C)(C)OC(=O)OC1/C=C\C(O)CCCC1
InChIInChI=1S/C13H22O4/c1-13(2,3)17-12(15)16-11-7-5-4-6-10(14)8-9-11/h8-11,14H,4-7H2,1-3H3/b9-8-
InChIKeyWNYXFFKGBQUNDA-HJWRWDBZSA-N
XLogP2.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] 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

[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
[(2E)-4-methoxycyclooct-2-en-1-yl] methyl carbonate
CID 90183035
tert-butyl 2-[(2E)-6-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl]acetate
CID 153277957
[(2E)-4-hydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] methyl carbonate
CID 118460742
tert-butyl [(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 158866304
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
[(2E)-4,7-dihydroxycyclooct-2-en-1-yl] methyl carbonate
CID 90182652
ethyl 5-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohex-3-ene-1-carboxylate
CID 126530948
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
tert-butyl (1-methylpyrrolidin-2-yl) carbonate
CID 54554292
tert-butyl piperidin-4-yl carbonate
CID 22078382

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate?
The IUPAC name of tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate (CID 118458845) is tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate.
What is the SMILES notation for tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate?
The canonical SMILES for tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate is CC(C)(C)OC(=O)OC1/C=C\C(O)CCCC1.
What is the InChIKey of tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate?
The InChIKey is WNYXFFKGBQUNDA-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H22O4/c1-13(2,3)17-12(15)16-11-7-5-4-6-10(14)8-9-11/h8-11,14H,4-7H2,1-3H3/b9-8-.
What are the key properties of tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate?
tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate has a molecular weight of 242.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate is sourced from PubChem (CID 118458845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).