ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate

C16H30O4 — CID 162951467

IUPACethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate
SMILESC/C=C(/C[C@](O)(CC)CCCC)[C@H](O)CC(=O)OCC
InChIInChI=1S/C16H30O4/c1-5-9-10-16(19,7-3)12-13(6-2)14(17)11-15(18)20-8-4/h6,14,17,19H,5,7-12H2,1-4H3/b13-6-/t14-,16+/m1/s1
InChIKeyRKEPFFPHCGFVOF-HWRHMDFFSA-N
MW286.41 g/mol
LogP2.97
Rot. Bonds10

About ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate

ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate (PubChem CID 162951467) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate.

Molecular Properties

Compound Nameethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate
PubChem CID162951467
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Nameethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate
SMILESC/C=C(/C[C@](O)(CC)CCCC)[C@H](O)CC(=O)OCC
InChIInChI=1S/C16H30O4/c1-5-9-10-16(19,7-3)12-13(6-2)14(17)11-15(18)20-8-4/h6,14,17,19H,5,7-12H2,1-4H3/b13-6-/t14-,16+/m1/s1
InChIKeyRKEPFFPHCGFVOF-HWRHMDFFSA-N
XLogP2.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hymeglusin
CID 6440895
Zincophorin
CID 11757702
Arctiopicrin
CID 5281423
Plakortide N
CID 10090339
2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester
CID 5281490
Ecraprost
CID 6917049
Griseochelin
CID 6438636
[(3aR,4S,9S,10Z,11aS)-9-hydroxy-10-methyl-3,6-dimethylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
CID 137640128
Onopordopicrin
CID 6440861
Manadoperoxide D
CID 46850185
(7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,17,21-pentamethyl-1-oxacyclodocos-11-en-2-one
CID 44593442
[(3aS,4R,6E,9S,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
CID 44582753

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate?
The IUPAC name of ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate (CID 162951467) is ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate.
What is the SMILES notation for ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate?
The canonical SMILES for ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate is C/C=C(/C[C@](O)(CC)CCCC)[C@H](O)CC(=O)OCC.
What is the InChIKey of ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate?
The InChIKey is RKEPFFPHCGFVOF-HWRHMDFFSA-N. The full InChI is InChI=1S/C16H30O4/c1-5-9-10-16(19,7-3)12-13(6-2)14(17)11-15(18)20-8-4/h6,14,17,19H,5,7-12H2,1-4H3/b13-6-/t14-,16+/m1/s1.
What are the key properties of ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate?
ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate has a molecular weight of 286.41 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4Z,6S)-6-ethyl-4-ethylidene-3,6-dihydroxydecanoate is sourced from PubChem (CID 162951467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).