ethyl 2-(4-methoxycyclohexylidene)acetate

C11H18O3 — CID 564798

IUPACethyl 2-(4-methoxycyclohexylidene)acetate
SMILESCCOC(=O)C=C1CCC(OC)CC1
InChIInChI=1S/C11H18O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyFDLBWCKJHBAADM-HJWRWDBZSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds3

About ethyl 2-(4-methoxycyclohexylidene)acetate

ethyl 2-(4-methoxycyclohexylidene)acetate (PubChem CID 564798) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 2-(4-methoxycyclohexylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxycyclohexylidene)acetate
PubChem CID564798
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 2-(4-methoxycyclohexylidene)acetate
SMILESCCOC(=O)C=C1CCC(OC)CC1
InChIInChI=1S/C11H18O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyFDLBWCKJHBAADM-HJWRWDBZSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxycyclohexylidene)acetate?
The IUPAC name of ethyl 2-(4-methoxycyclohexylidene)acetate (CID 564798) is ethyl 2-(4-methoxycyclohexylidene)acetate.
What is the SMILES notation for ethyl 2-(4-methoxycyclohexylidene)acetate?
The canonical SMILES for ethyl 2-(4-methoxycyclohexylidene)acetate is CCOC(=O)C=C1CCC(OC)CC1.
What is the InChIKey of ethyl 2-(4-methoxycyclohexylidene)acetate?
The InChIKey is FDLBWCKJHBAADM-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of ethyl 2-(4-methoxycyclohexylidene)acetate?
ethyl 2-(4-methoxycyclohexylidene)acetate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxycyclohexylidene)acetate is sourced from PubChem (CID 564798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).