[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate

C12H20O3 — CID 10856794

IUPAC[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)OC1/C=C\CCCCCC1
InChIInChI=1S/C12H20O3/c1-2-14-12(13)15-11-9-7-5-3-4-6-8-10-11/h7,9,11H,2-6,8,10H2,1H3/b9-7-
InChIKeyMLUCKKQSUCDHPI-CLFYSBASSA-N
MW212.29 g/mol
LogP3.44
Rot. Bonds2

About [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate

[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate (PubChem CID 10856794) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate.

Molecular Properties

Compound Name[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
PubChem CID10856794
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)OC1/C=C\CCCCCC1
InChIInChI=1S/C12H20O3/c1-2-14-12(13)15-11-9-7-5-3-4-6-8-10-11/h7,9,11H,2-6,8,10H2,1H3/b9-7-
InChIKeyMLUCKKQSUCDHPI-CLFYSBASSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.44
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

cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
cyclohex-2-en-1-yl propanoate
CID 10986464
[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
CID 155745211
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 155426799
cyclohex-2-en-1-yl acetate;methane
CID 159882311
cyclohept-2-en-1-yl 2,2,2-trifluoroacetate
CID 10465632
[(2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) acetate;ethane
CID 163961436
(1Z)-3-hydroperoxycyclodecene
CID 10397221

Frequently Asked Questions

What is the IUPAC name of [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate?
The IUPAC name of [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate (CID 10856794) is [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate.
What is the SMILES notation for [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate?
The canonical SMILES for [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate is CCOC(=O)OC1/C=C\CCCCCC1.
What is the InChIKey of [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate?
The InChIKey is MLUCKKQSUCDHPI-CLFYSBASSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-14-12(13)15-11-9-7-5-3-4-6-8-10-11/h7,9,11H,2-6,8,10H2,1H3/b9-7-.
What are the key properties of [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate?
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate has a molecular weight of 212.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclonon-2-en-1-yl] ethyl carbonate is sourced from PubChem (CID 10856794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).