ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate

C18H24O4 — CID 177434994

IUPACethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate
SMILESCCOC(=O)CCCCC1C=C(C)[C@H](c2ccccc2)OO1
InChIInChI=1S/C18H24O4/c1-3-20-17(19)12-8-7-11-16-13-14(2)18(22-21-16)15-9-5-4-6-10-15/h4-6,9-10,13,16,18H,3,7-8,11-12H2,1-2H3/t16?,18-/m1/s1
InChIKeyVTUIZPZTMGSGEA-UHUGOGIASA-N
MW304.39 g/mol
LogP4.13
Rot. Bonds7

About ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate

ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate (PubChem CID 177434994) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate
PubChem CID177434994
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate
SMILESCCOC(=O)CCCCC1C=C(C)[C@H](c2ccccc2)OO1
InChIInChI=1S/C18H24O4/c1-3-20-17(19)12-8-7-11-16-13-14(2)18(22-21-16)15-9-5-4-6-10-15/h4-6,9-10,13,16,18H,3,7-8,11-12H2,1-2H3/t16?,18-/m1/s1
InChIKeyVTUIZPZTMGSGEA-UHUGOGIASA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate with MolForge

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Related Compounds

ethyl 9-[(2R,3R)-3-phenyloxiran-2-yl]nonanoate
CID 10590631
ethyl 5-oxo-5-[(2S,3R)-3-phenyloxiran-2-yl]pentanoate
CID 15835903
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
diethyl hexanedioate
CID 160747628
ethyl 7,8-dioxo-8-phenyloctanoate
CID 102494315
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 4-[(4R)-2-oxo-4-phenyloxathiazolidin-3-yl]butanoate
CID 153315857
diethyl icosanedioate
CID 5058538
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
ethyl 3-[(3R,5S)-2,2,5-triphenyloxasilolan-3-yl]propanoate
CID 100955833
ethyl 5-phenylhex-5-enoate
CID 146276439

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate?
The IUPAC name of ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate (CID 177434994) is ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate.
What is the SMILES notation for ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate?
The canonical SMILES for ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate is CCOC(=O)CCCCC1C=C(C)[C@H](c2ccccc2)OO1.
What is the InChIKey of ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate?
The InChIKey is VTUIZPZTMGSGEA-UHUGOGIASA-N. The full InChI is InChI=1S/C18H24O4/c1-3-20-17(19)12-8-7-11-16-13-14(2)18(22-21-16)15-9-5-4-6-10-15/h4-6,9-10,13,16,18H,3,7-8,11-12H2,1-2H3/t16?,18-/m1/s1.
What are the key properties of ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate?
ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate has a molecular weight of 304.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6R)-5-methyl-6-phenyl-3,6-dihydro-1,2-dioxin-3-yl]pentanoate is sourced from PubChem (CID 177434994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).