ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate

C13H22O4 — CID 10490358

IUPACethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H22O4/c1-5-15-12(14)7-6-10(2)8-11-9-16-13(3,4)17-11/h6-7,10-11H,5,8-9H2,1-4H3/b7-6+/t10-,11+/m0/s1
InChIKeyGKRMMEZLGKRMDU-FQLSZKSXSA-N
MW242.31 g/mol
LogP2.28
Rot. Bonds5

About ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate

ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate (PubChem CID 10490358) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate
PubChem CID10490358
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H22O4/c1-5-15-12(14)7-6-10(2)8-11-9-16-13(3,4)17-11/h6-7,10-11H,5,8-9H2,1-4H3/b7-6+/t10-,11+/m0/s1
InChIKeyGKRMMEZLGKRMDU-FQLSZKSXSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate 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

(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 2724857
tert-butyl (E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11107107
1,1-Dimethylethyl (2E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propenoate
CID 14433549
[(E)-6-(2-methyl-1,3-dioxolan-2-yl)hex-5-enyl] acetate
CID 58918258
ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate
CID 5387033
ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 5468983
2-Heptenoic acid, 4-methyl-2-pentyl ester
CID 91704720
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 5363635

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate?
The IUPAC name of ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate (CID 10490358) is ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate?
The canonical SMILES for ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate is CCOC(=O)/C=C/[C@H](C)C[C@@H]1COC(C)(C)O1.
What is the InChIKey of ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate?
The InChIKey is GKRMMEZLGKRMDU-FQLSZKSXSA-N. The full InChI is InChI=1S/C13H22O4/c1-5-15-12(14)7-6-10(2)8-11-9-16-13(3,4)17-11/h6-7,10-11H,5,8-9H2,1-4H3/b7-6+/t10-,11+/m0/s1.
What are the key properties of ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate?
ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate has a molecular weight of 242.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpent-2-enoate is sourced from PubChem (CID 10490358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).