ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate

C14H24O5 — CID 46849797

IUPACethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@H](O)CC1(C)OCCO1
InChIInChI=1S/C14H24O5/c1-5-17-13(16)11(3)8-10(2)12(15)9-14(4)18-6-7-19-14/h8,10,12,15H,5-7,9H2,1-4H3/b11-8+/t10-,12-/m1/s1
InChIKeySUZOYMNUGOESRS-ZDMKUBQJSA-N
MW272.34 g/mol
LogP1.65
Rot. Bonds6

About ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate

ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate (PubChem CID 46849797) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
PubChem CID46849797
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@H](O)CC1(C)OCCO1
InChIInChI=1S/C14H24O5/c1-5-17-13(16)11(3)8-10(2)12(15)9-14(4)18-6-7-19-14/h8,10,12,15H,5-7,9H2,1-4H3/b11-8+/t10-,12-/m1/s1
InChIKeySUZOYMNUGOESRS-ZDMKUBQJSA-N
XLogP1.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate with MolForge

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Related Compounds

diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl 2-methyl-3-(4-methyloxan-4-yl)prop-2-enoate
CID 76623261
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
ethyl 2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
CID 138108121
ethyl (E)-2-methyl-4-(methylamino)-4-propan-2-yliodanuidylbut-2-enoate
CID 163900618
ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate
CID 171651995
ethyl (E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethyldec-2-enoate
CID 10949401
ethyl 2-methyl-4-(propylamino)pent-2-enoate
CID 146443436

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate?
The IUPAC name of ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate (CID 46849797) is ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate.
What is the SMILES notation for ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate?
The canonical SMILES for ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate is CCOC(=O)/C(C)=C/[C@@H](C)[C@H](O)CC1(C)OCCO1.
What is the InChIKey of ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate?
The InChIKey is SUZOYMNUGOESRS-ZDMKUBQJSA-N. The full InChI is InChI=1S/C14H24O5/c1-5-17-13(16)11(3)8-10(2)12(15)9-14(4)18-6-7-19-14/h8,10,12,15H,5-7,9H2,1-4H3/b11-8+/t10-,12-/m1/s1.
What are the key properties of ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate?
ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate has a molecular weight of 272.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate is sourced from PubChem (CID 46849797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).