ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate

C10H16O4 — CID 10488247

IUPACethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)OC(C)=O
InChIInChI=1S/C10H16O4/c1-5-13-10(12)7(2)6-8(3)14-9(4)11/h6,8H,5H2,1-4H3/b7-6+/t8-/m1/s1
InChIKeyQBPHNJCLLVHTJD-HYDMIIDASA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds4

About ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate

ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate (PubChem CID 10488247) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
PubChem CID10488247
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)OC(C)=O
InChIInChI=1S/C10H16O4/c1-5-13-10(12)7(2)6-8(3)14-9(4)11/h6,8H,5H2,1-4H3/b7-6+/t8-/m1/s1
InChIKeyQBPHNJCLLVHTJD-HYDMIIDASA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
ethyl 2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
CID 138108121
ethyl 2-methyl-4-(propylamino)pent-2-enoate
CID 146443436
ethyl (E)-2,4-dimethylhenicos-2-enoate
CID 5369344
ethyl 2-methyl-4-(methylamino)hex-2-enoate
CID 173010838
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl (E)-2-methyl-4-(methylamino)-4-propan-2-yliodanuidylbut-2-enoate
CID 163900618
ethyl 2-methyl-3-(propan-2-ylamino)prop-2-enoate
CID 171480672

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate?
The IUPAC name of ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate (CID 10488247) is ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate is CCOC(=O)/C(C)=C/[C@@H](C)OC(C)=O.
What is the InChIKey of ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate?
The InChIKey is QBPHNJCLLVHTJD-HYDMIIDASA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-10(12)7(2)6-8(3)14-9(4)11/h6,8H,5H2,1-4H3/b7-6+/t8-/m1/s1.
What are the key properties of ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate?
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate is sourced from PubChem (CID 10488247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).