cyclohept-2-en-1-yl ethyl carbonate

C10H16O3 — CID 15310932

IUPACcyclohept-2-en-1-yl ethyl carbonate
SMILESCCOC(=O)OC1C=CCCCC1
InChIInChI=1S/C10H16O3/c1-2-12-10(11)13-9-7-5-3-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyVCLBQVVARTUZEA-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds2

About cyclohept-2-en-1-yl ethyl carbonate

cyclohept-2-en-1-yl ethyl carbonate (PubChem CID 15310932) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is cyclohept-2-en-1-yl ethyl carbonate.

Molecular Properties

Compound Namecyclohept-2-en-1-yl ethyl carbonate
PubChem CID15310932
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namecyclohept-2-en-1-yl ethyl carbonate
SMILESCCOC(=O)OC1C=CCCCC1
InChIInChI=1S/C10H16O3/c1-2-12-10(11)13-9-7-5-3-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3
InChIKeyVCLBQVVARTUZEA-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
[(1R)-cyclohept-2-en-1-yl] 2-methylpropanoate
CID 14932680
cyclohex-2-en-1-yl propanoate
CID 10986464
[(1S,4R)-4-ethoxycarbonyloxycyclopent-2-en-1-yl] ethyl carbonate
CID 10514412
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
CID 155745211
cyclohex-2-en-1-yl acetate;methane
CID 159882311
cyclohept-2-en-1-yl 2,2,2-trifluoroacetate
CID 10465632
[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 155426799
cyclohex-2-en-1-yl 3-methylbutanoate
CID 3016266
[(1R)-cyclohept-2-en-1-yl] diethyl phosphate
CID 129364890

Frequently Asked Questions

What is the IUPAC name of cyclohept-2-en-1-yl ethyl carbonate?
The IUPAC name of cyclohept-2-en-1-yl ethyl carbonate (CID 15310932) is cyclohept-2-en-1-yl ethyl carbonate.
What is the SMILES notation for cyclohept-2-en-1-yl ethyl carbonate?
The canonical SMILES for cyclohept-2-en-1-yl ethyl carbonate is CCOC(=O)OC1C=CCCCC1.
What is the InChIKey of cyclohept-2-en-1-yl ethyl carbonate?
The InChIKey is VCLBQVVARTUZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-12-10(11)13-9-7-5-3-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of cyclohept-2-en-1-yl ethyl carbonate?
cyclohept-2-en-1-yl ethyl carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-2-en-1-yl ethyl carbonate is sourced from PubChem (CID 15310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).