ethylcyclooctane;methyl prop-2-enoate

C14H26O2 — CID 158888004

IUPACethylcyclooctane;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCC1CCCCCCC1
InChIInChI=1S/C10H20.C4H6O2/c1-2-10-8-6-4-3-5-7-9-10;1-3-4(5)6-2/h10H,2-9H2,1H3;3H,1H2,2H3
InChIKeyJDWJIGFOWUQWRV-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds2

About ethylcyclooctane;methyl prop-2-enoate

ethylcyclooctane;methyl prop-2-enoate (PubChem CID 158888004) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethylcyclooctane;methyl prop-2-enoate.

Molecular Properties

Compound Nameethylcyclooctane;methyl prop-2-enoate
PubChem CID158888004
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethylcyclooctane;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCC1CCCCCCC1
InChIInChI=1S/C10H20.C4H6O2/c1-2-10-8-6-4-3-5-7-9-10;1-3-4(5)6-2/h10H,2-9H2,1H3;3H,1H2,2H3
InChIKeyJDWJIGFOWUQWRV-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
bis(methyl prop-2-enoate);propane
CID 160610529
2,3-diethyloxirane;methyl prop-2-enoate
CID 175305773
cyclohexyl(dimethyl)silane;methyl prop-2-enoate
CID 174610427
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
CID 174735157
ethylcyclopentane;prop-1-ene
CID 142059151
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
cyclohexane-1,3-diol;methyl prop-2-enoate
CID 174824119
ethylcycloheptane;2-methylprop-2-enoic acid
CID 68583536
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
N-methylmethanamine;methyl prop-2-enoate
CID 160519545

Frequently Asked Questions

What is the IUPAC name of ethylcyclooctane;methyl prop-2-enoate?
The IUPAC name of ethylcyclooctane;methyl prop-2-enoate (CID 158888004) is ethylcyclooctane;methyl prop-2-enoate.
What is the SMILES notation for ethylcyclooctane;methyl prop-2-enoate?
The canonical SMILES for ethylcyclooctane;methyl prop-2-enoate is C=CC(=O)OC.CCC1CCCCCCC1.
What is the InChIKey of ethylcyclooctane;methyl prop-2-enoate?
The InChIKey is JDWJIGFOWUQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C4H6O2/c1-2-10-8-6-4-3-5-7-9-10;1-3-4(5)6-2/h10H,2-9H2,1H3;3H,1H2,2H3.
What are the key properties of ethylcyclooctane;methyl prop-2-enoate?
ethylcyclooctane;methyl prop-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclooctane;methyl prop-2-enoate is sourced from PubChem (CID 158888004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).