ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate

C11H18O2 — CID 142907959

IUPACethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\CC(C)[C@@H](C)C1
InChIInChI=1S/C11H18O2/c1-4-13-11(12)7-10-5-8(2)9(3)6-10/h7-9H,4-6H2,1-3H3/b10-7-/t8-,9?/m0/s1
InChIKeyQLHNVWKVWDIVIG-UWRDMTDQSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate

ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate (PubChem CID 142907959) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
PubChem CID142907959
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\CC(C)[C@@H](C)C1
InChIInChI=1S/C11H18O2/c1-4-13-11(12)7-10-5-8(2)9(3)6-10/h7-9H,4-6H2,1-3H3/b10-7-/t8-,9?/m0/s1
InChIKeyQLHNVWKVWDIVIG-UWRDMTDQSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
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-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl 2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopentylidene]acetate
CID 67216895
ethyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutylidene]acetate
CID 121208184
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl (2E)-2-(1-chloro-2-methylpiperidin-4-ylidene)acetate
CID 129213016
ethyl 2-(1,1-dihydroxythietan-3-ylidene)acetate
CID 130201757
ethyl 2-(3,5-dimethoxycyclohexylidene)acetate;(5S)-3-methoxy-5-methylcyclohexan-1-one
CID 90792530
tert-butyl (1S,3Z)-3-(2-ethoxy-2-oxoethylidene)cyclopentane-1-carboxylate
CID 59547321
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
ethyl 2-(1,1-dihydroxythian-4-ylidene)acetate
CID 130201775
ethyl (E)-3-[(1S,2S)-2-methylcyclopropyl]prop-2-enoate
CID 101160794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate?
The IUPAC name of ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate (CID 142907959) is ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate.
What is the SMILES notation for ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate?
The canonical SMILES for ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate is CCOC(=O)/C=C1\CC(C)[C@@H](C)C1.
What is the InChIKey of ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate?
The InChIKey is QLHNVWKVWDIVIG-UWRDMTDQSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-11(12)7-10-5-8(2)9(3)6-10/h7-9H,4-6H2,1-3H3/b10-7-/t8-,9?/m0/s1.
What are the key properties of ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate?
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate is sourced from PubChem (CID 142907959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).