[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate

C15H24O4 — CID 118460779

IUPAC[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H24O4/c1-15(2,3)13(16)11-7-5-6-8-12(10-9-11)19-14(17)18-4/h6,8,11-12H,5,7,9-10H2,1-4H3/b8-6-
InChIKeyWQFSPENXLLNSSK-VURMDHGXSA-N
MW268.35 g/mol
LogP3.50
Rot. Bonds2

About [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate

[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate (PubChem CID 118460779) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate
PubChem CID118460779
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1/C=C\CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H24O4/c1-15(2,3)13(16)11-7-5-6-8-12(10-9-11)19-14(17)18-4/h6,8,11-12H,5,7,9-10H2,1-4H3/b8-6-
InChIKeyWQFSPENXLLNSSK-VURMDHGXSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate?
The IUPAC name of [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate (CID 118460779) is [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate.
What is the SMILES notation for [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate?
The canonical SMILES for [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate is COC(=O)OC1/C=C\CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate?
The InChIKey is WQFSPENXLLNSSK-VURMDHGXSA-N. The full InChI is InChI=1S/C15H24O4/c1-15(2,3)13(16)11-7-5-6-8-12(10-9-11)19-14(17)18-4/h6,8,11-12H,5,7,9-10H2,1-4H3/b8-6-.
What are the key properties of [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate?
[(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate has a molecular weight of 268.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] methyl carbonate is sourced from PubChem (CID 118460779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).