ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate

C12H20O3 — CID 66322359

IUPACethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
SMILESC=C(COCC1CCCC1)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-3-15-12(13)10(2)8-14-9-11-6-4-5-7-11/h11H,2-9H2,1H3
InChIKeyGJAVOPBFJQOBMQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.31
Rot. Bonds6

About ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate

ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate (PubChem CID 66322359) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
PubChem CID66322359
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
SMILESC=C(COCC1CCCC1)C(=O)OCC
InChIInChI=1S/C12H20O3/c1-3-15-12(13)10(2)8-14-9-11-6-4-5-7-11/h11H,2-9H2,1H3
InChIKeyGJAVOPBFJQOBMQ-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.31
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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Related Compounds

cyclopentylmethyl 2-methylidenebutanoate
CID 156770816
ethyl 4-cyclohexyl-2-methylidenebutanoate
CID 101255888
ethyl 5-cyclohexyl-2-methylidenepentanoate
CID 54419238
ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
ethyl 2-(methoxymethoxymethyl)prop-2-enoate
CID 15153939
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
ethyl 2-[(2-bromo-2-methylpropoxy)methyl]prop-2-enoate
CID 141483564
ethyl 2-[(2-cyclobutylethylamino)methyl]prop-2-enoate
CID 103265214
ethyl 2-(phosphorosomethoxymethoxymethyl)prop-2-enoate
CID 87600703
ethyl (E)-4-(cyclopentylmethoxy)but-2-enoate
CID 80545807
ethoxymethylcyclooctane
CID 70370569
1-(cyclohexylmethoxy)-3,3-dimethylbutan-2-one
CID 62383747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate (CID 66322359) is ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate is C=C(COCC1CCCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate?
The InChIKey is GJAVOPBFJQOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-15-12(13)10(2)8-14-9-11-6-4-5-7-11/h11H,2-9H2,1H3.
What are the key properties of ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate?
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate has a molecular weight of 212.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate is sourced from PubChem (CID 66322359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).