(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol

C18H36O4 — CID 102459917

IUPAC(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(20)18(22)17(21)15-19/h13-14,16-22H,2-12,15H2,1H3/b14-13+/t16-,17-,18-/m1/s1
InChIKeySIGAUYUCDUPRSX-VOUPMTBQSA-N
MW316.48 g/mol
LogP2.93
Rot. Bonds15

About (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol

(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol (PubChem CID 102459917) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol
PubChem CID102459917
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(20)18(22)17(21)15-19/h13-14,16-22H,2-12,15H2,1H3/b14-13+/t16-,17-,18-/m1/s1
InChIKeySIGAUYUCDUPRSX-VOUPMTBQSA-N
XLogP2.93
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 171149174
(E,2S,3R)-2-aminopentadec-4-ene-1,3-diol
CID 91886102
(E)-2-aminoheptadec-4-ene-1,3-diol
CID 14767873
(E,2S)-2-aminopentadec-4-ene-1,3-diol
CID 91746220
3-(1,2-dihydroxytetradec-4-en-3-yloxy)tetradec-4-ene-1,2-diol
CID 87991332
[(E,2S,3R)-1,3-dihydroxydodec-4-en-2-yl]azanium
CID 126961029
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
undec-3-en-2-ol
CID 174515693
[(E,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylazanium
CID 124542759
N-(1,3-dihydroxyoctadec-4-en-2-yl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 122641710
(7R,8R,9S)-7,8,9-trihydroxyhexadec-10-enoic acid
CID 163042418
[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylazanium chloride
CID 14889582

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol?
The IUPAC name of (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol (CID 102459917) is (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol is CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol?
The InChIKey is SIGAUYUCDUPRSX-VOUPMTBQSA-N. The full InChI is InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(20)18(22)17(21)15-19/h13-14,16-22H,2-12,15H2,1H3/b14-13+/t16-,17-,18-/m1/s1.
What are the key properties of (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol?
(E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol has a molecular weight of 316.48 g/mol, XLogP of 2.93, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,4R)-octadec-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 102459917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).