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

C10H16O3 — CID 11469477

IUPACtert-butyl cyclopent-2-en-1-yl carbonate
SMILESCC(C)(C)OC(=O)OC1C=CCC1
InChIInChI=1S/C10H16O3/c1-10(2,3)13-9(11)12-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3
InChIKeyTVDHEHMZOINJJW-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds1

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

tert-butyl cyclopent-2-en-1-yl carbonate (PubChem CID 11469477) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is tert-butyl cyclopent-2-en-1-yl carbonate.

Molecular Properties

Compound Nametert-butyl cyclopent-2-en-1-yl carbonate
PubChem CID11469477
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nametert-butyl cyclopent-2-en-1-yl carbonate
SMILESCC(C)(C)OC(=O)OC1C=CCC1
InChIInChI=1S/C10H16O3/c1-10(2,3)13-9(11)12-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3
InChIKeyTVDHEHMZOINJJW-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3,7-Dimethylocta-2,6-dienyl ethyl carbonate
CID 11107057
(E)-3,7-dimethylocta-2,6-dien-1-yl methyl carbonate
CID 5365990
(e)-Hex-2-en-1-yl ethyl carbonate
CID 10910023
[(E)-hept-4-en-3-yl] methyl carbonate
CID 11062874
Cyclohex-2-en-1-yl methyl carbonate
CID 11073660
tert-butyl (2E)-3,7-dimethylocta-2,6-dien-1-yl carbonate
CID 90362268
ethyl [(E)-pent-3-en-2-yl] carbonate
CID 10877392
Cyclohex-2-en-1-yl ethyl carbonate
CID 11041142
Neryl methyl carbonate
CID 11085115
tert-butyl [(E)-hex-2-enyl] carbonate
CID 11579312
rel-(1R,3S)-4-cyclopentene-1,3-diyl bis(1,1-dimethylethyl) carbonate
CID 11623585
Cyclopent-2-en-1-yl methyl carbonate
CID 14932676

Frequently Asked Questions

What is the IUPAC name of tert-butyl cyclopent-2-en-1-yl carbonate?
The IUPAC name of tert-butyl cyclopent-2-en-1-yl carbonate (CID 11469477) is tert-butyl cyclopent-2-en-1-yl carbonate.
What is the SMILES notation for tert-butyl cyclopent-2-en-1-yl carbonate?
The canonical SMILES for tert-butyl cyclopent-2-en-1-yl carbonate is CC(C)(C)OC(=O)OC1C=CCC1.
What is the InChIKey of tert-butyl cyclopent-2-en-1-yl carbonate?
The InChIKey is TVDHEHMZOINJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2,3)13-9(11)12-8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3.
What are the key properties of tert-butyl cyclopent-2-en-1-yl carbonate?
tert-butyl cyclopent-2-en-1-yl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl cyclopent-2-en-1-yl carbonate is sourced from PubChem (CID 11469477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).