2,3,4,5-tetrahydroxypentyl undec-10-enoate

C16H30O6 — CID 543364

IUPAC2,3,4,5-tetrahydroxypentyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(O)C(O)C(O)CO
InChIInChI=1S/C16H30O6/c1-2-3-4-5-6-7-8-9-10-15(20)22-12-14(19)16(21)13(18)11-17/h2,13-14,16-19,21H,1,3-12H2
InChIKeyHKPTZHNHCKJZAQ-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.91
Rot. Bonds14

About 2,3,4,5-tetrahydroxypentyl undec-10-enoate

2,3,4,5-tetrahydroxypentyl undec-10-enoate (PubChem CID 543364) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2,3,4,5-tetrahydroxypentyl undec-10-enoate.

Molecular Properties

Compound Name2,3,4,5-tetrahydroxypentyl undec-10-enoate
PubChem CID543364
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name2,3,4,5-tetrahydroxypentyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(O)C(O)C(O)CO
InChIInChI=1S/C16H30O6/c1-2-3-4-5-6-7-8-9-10-15(20)22-12-14(19)16(21)13(18)11-17/h2,13-14,16-19,21H,1,3-12H2
InChIKeyHKPTZHNHCKJZAQ-UHFFFAOYSA-N
XLogP0.91
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Sorbitan mono-(9Z)-9-octadecenoate
CID 9920342
Glyceryl Monooleate
CID 5283468
Monolinolein
CID 6436630
2-Oleoylglycerol
CID 5319879
Glyceryl Ricinoleate
CID 6433266
1-Linolenoylglycerol
CID 5367328
2-Linoleoylglycerol
CID 5365676
1-Monolinolein
CID 5283469
Diolein
CID 6505653
(1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z,12Z)-9,12-octadecadienoate
CID 6441562
1,2-Dioleoyl-Sn-Glycerol
CID 9543716
2-Monolinolenin
CID 11674746

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydroxypentyl undec-10-enoate?
The IUPAC name of 2,3,4,5-tetrahydroxypentyl undec-10-enoate (CID 543364) is 2,3,4,5-tetrahydroxypentyl undec-10-enoate.
What is the SMILES notation for 2,3,4,5-tetrahydroxypentyl undec-10-enoate?
The canonical SMILES for 2,3,4,5-tetrahydroxypentyl undec-10-enoate is C=CCCCCCCCCC(=O)OCC(O)C(O)C(O)CO.
What is the InChIKey of 2,3,4,5-tetrahydroxypentyl undec-10-enoate?
The InChIKey is HKPTZHNHCKJZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-2-3-4-5-6-7-8-9-10-15(20)22-12-14(19)16(21)13(18)11-17/h2,13-14,16-19,21H,1,3-12H2.
What are the key properties of 2,3,4,5-tetrahydroxypentyl undec-10-enoate?
2,3,4,5-tetrahydroxypentyl undec-10-enoate has a molecular weight of 318.41 g/mol, XLogP of 0.91, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydroxypentyl undec-10-enoate is sourced from PubChem (CID 543364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).