ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate

C12H20O4 — CID 10059660

IUPACethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
SMILESC=CC[C@](C)(C(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C12H20O4/c1-5-7-11(3,10(13)14-6-2)12(4)15-8-9-16-12/h5H,1,6-9H2,2-4H3/t11-/m1/s1
InChIKeyRFNWUQCSJFOOPB-LLVKDONJSA-N
MW228.29 g/mol
LogP1.89
Rot. Bonds5

About ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate

ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate (PubChem CID 10059660) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
PubChem CID10059660
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nameethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
SMILESC=CC[C@](C)(C(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C12H20O4/c1-5-7-11(3,10(13)14-6-2)12(4)15-8-9-16-12/h5H,1,6-9H2,2-4H3/t11-/m1/s1
InChIKeyRFNWUQCSJFOOPB-LLVKDONJSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-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

Ethyl 2-but-3-enyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 23254622
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 13899462
2-(2-Methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
CID 16724813
2-Ethyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoic acid
CID 19599018
Tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 45258311
Ethyl 2-(propanoyloxymethyl)-2-prop-2-enylpent-4-enoate
CID 88990039
(2-Oxo-1,3-dioxolan-4-yl)methyl 2,2,4,4-tetramethylhex-5-enoate
CID 118487641
2-Methoxypropan-2-yl 2-formyl-2-prop-2-enylpent-4-enoate
CID 156079960
Tert-butyl 2-acetylpent-4-enoate;tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 159738613
diethyl 2-[[(4S,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-2-prop-2-enylpropanedioate
CID 10519330
Dimethyl 2-(1,3-dioxolan-2-ylmethyl)-2-prop-2-enylpropanedioate
CID 10934148
Dimethyl 2-[4-(2-methyl-1,3-dioxolan-2-yl)buta-2,3-dienyl]-2-prop-2-enylpropanedioate
CID 44254726

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
The IUPAC name of ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate (CID 10059660) is ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate.
What is the SMILES notation for ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
The canonical SMILES for ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate is C=CC[C@](C)(C(=O)OCC)C1(C)OCCO1.
What is the InChIKey of ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
The InChIKey is RFNWUQCSJFOOPB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-7-11(3,10(13)14-6-2)12(4)15-8-9-16-12/h5H,1,6-9H2,2-4H3/t11-/m1/s1.
What are the key properties of ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate has a molecular weight of 228.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-methyl-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate is sourced from PubChem (CID 10059660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).