ethyl 2-chloro-2-cyclohexylideneacetate

C10H15ClO2 — CID 12521992

IUPACethyl 2-chloro-2-cyclohexylideneacetate
SMILESCCOC(=O)C(Cl)=C1CCCCC1
InChIInChI=1S/C10H15ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyFSOOHHPBKWWDNB-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.01
Rot. Bonds2

About ethyl 2-chloro-2-cyclohexylideneacetate

ethyl 2-chloro-2-cyclohexylideneacetate (PubChem CID 12521992) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is ethyl 2-chloro-2-cyclohexylideneacetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-cyclohexylideneacetate
PubChem CID12521992
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-chloro-2-cyclohexylideneacetate
SMILESCCOC(=O)C(Cl)=C1CCCCC1
InChIInChI=1S/C10H15ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H2,1H3
InChIKeyFSOOHHPBKWWDNB-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.01
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

Ethyl 2-cyclohexylidenepropanoate
CID 12532726
Ethyl cyclohexylidene(fluoro)acetate
CID 12705935
3-Methyl-2-chlorohept-2-enoic acid, methyl ester
CID 6423319
Methyl 2-chloro-3-ethylpent-2-enoate
CID 19898055
methyl (E)-2-chloro-3-methyloct-2-enoate
CID 23544875
Ethyl 2-chloro-2-(oxan-4-ylidene)acetate
CID 57602858
Methyl 2-chloro-3-methyloct-2-enoate
CID 74061511
Methyl 2-chloro-3-methylundec-2-enoate
CID 85980825
methyl (Z)-2-chloro-3-methylundec-2-enoate
CID 87935444
Methyl 2-chloro-2-(4-methylcyclohexylidene)acetate
CID 10104326
3-chloro-5-ethyl-4-propyl-2(5H)-furanone
CID 14866648

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-cyclohexylideneacetate?
The IUPAC name of ethyl 2-chloro-2-cyclohexylideneacetate (CID 12521992) is ethyl 2-chloro-2-cyclohexylideneacetate.
What is the SMILES notation for ethyl 2-chloro-2-cyclohexylideneacetate?
The canonical SMILES for ethyl 2-chloro-2-cyclohexylideneacetate is CCOC(=O)C(Cl)=C1CCCCC1.
What is the InChIKey of ethyl 2-chloro-2-cyclohexylideneacetate?
The InChIKey is FSOOHHPBKWWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h2-7H2,1H3.
What are the key properties of ethyl 2-chloro-2-cyclohexylideneacetate?
ethyl 2-chloro-2-cyclohexylideneacetate has a molecular weight of 202.68 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-cyclohexylideneacetate is sourced from PubChem (CID 12521992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).