tert-butyl cyclohex-2-en-1-yl carbonate

C11H18O3 — CID 25128457

IUPACtert-butyl cyclohex-2-en-1-yl carbonate
SMILESCC(C)(C)OC(=O)OC1C=CCCC1
InChIInChI=1S/C11H18O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChIKeyOWTGXKHEHADFAK-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl cyclohex-2-en-1-yl carbonate

tert-butyl cyclohex-2-en-1-yl carbonate (PubChem CID 25128457) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is tert-butyl cyclohex-2-en-1-yl carbonate.

Molecular Properties

Compound Nametert-butyl cyclohex-2-en-1-yl carbonate
PubChem CID25128457
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nametert-butyl cyclohex-2-en-1-yl carbonate
SMILESCC(C)(C)OC(=O)OC1C=CCCC1
InChIInChI=1S/C11H18O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3
InChIKeyOWTGXKHEHADFAK-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl cyclohex-2-en-1-yl carbonate?
The IUPAC name of tert-butyl cyclohex-2-en-1-yl carbonate (CID 25128457) is tert-butyl cyclohex-2-en-1-yl carbonate.
What is the SMILES notation for tert-butyl cyclohex-2-en-1-yl carbonate?
The canonical SMILES for tert-butyl cyclohex-2-en-1-yl carbonate is CC(C)(C)OC(=O)OC1C=CCCC1.
What is the InChIKey of tert-butyl cyclohex-2-en-1-yl carbonate?
The InChIKey is OWTGXKHEHADFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of tert-butyl cyclohex-2-en-1-yl carbonate?
tert-butyl cyclohex-2-en-1-yl carbonate has a molecular weight of 198.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl cyclohex-2-en-1-yl carbonate is sourced from PubChem (CID 25128457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).