ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate

C12H20O2 — CID 68747817

IUPACethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate
SMILESC/C=C\C1C(C(=O)OCC)C1(C)CC
InChIInChI=1S/C12H20O2/c1-5-8-9-10(11(13)14-7-3)12(9,4)6-2/h5,8-10H,6-7H2,1-4H3/b8-5-
InChIKeyBERDVVDSEQLEFZ-YVMONPNESA-N
MW196.29 g/mol
LogP2.79
Rot. Bonds4

About ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate

ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate (PubChem CID 68747817) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate
PubChem CID68747817
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate
SMILESC/C=C\C1C(C(=O)OCC)C1(C)CC
InChIInChI=1S/C12H20O2/c1-5-8-9-10(11(13)14-7-3)12(9,4)6-2/h5,8-10H,6-7H2,1-4H3/b8-5-
InChIKeyBERDVVDSEQLEFZ-YVMONPNESA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-methyl-3-prop-1-enylcyclopropane-1-carboxylic acid
CID 68748322
trans-ethyl (1R,3S)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 86739238
ethyl 3-hexa-1,3-dienyl-2,2-dimethylcyclopropane-1-carboxylate
CID 74019557
trans-ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 719276
ethyl 3-(2-chloroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 139939004
ethyl 2-prop-1-enylcyclopropane-1-carboxylate
CID 556831
cis-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
CID 11738994
cis-(2,3,4,5,6-pentafluorophenyl)methyl (1R,3R)-2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate
CID 23730914
cis-ethyl (1S,3S)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 94862316
ethyl 3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23078061
trans-ethyl (1R,3S)-3-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 95387021
ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 149163256

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate (CID 68747817) is ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate is C/C=C\C1C(C(=O)OCC)C1(C)CC.
What is the InChIKey of ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate?
The InChIKey is BERDVVDSEQLEFZ-YVMONPNESA-N. The full InChI is InChI=1S/C12H20O2/c1-5-8-9-10(11(13)14-7-3)12(9,4)6-2/h5,8-10H,6-7H2,1-4H3/b8-5-.
What are the key properties of ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate?
ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate has a molecular weight of 196.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-methyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 68747817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).