(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal

C14H26O6 — CID 22851144

IUPAC(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal
SMILESC=CCCCCCC[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-14(20,10-16)13(19)12(18)11(17)9-15/h2,10-13,15,17-20H,1,3-9H2/t11-,12-,13+,14+/m1/s1
InChIKeyOHSHZJLTRJOEAM-MQYQWHSLSA-N
MW290.36 g/mol
LogP-0.48
Rot. Bonds12

About (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal

(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal (PubChem CID 22851144) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal
PubChem CID22851144
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal
SMILESC=CCCCCCC[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-14(20,10-16)13(19)12(18)11(17)9-15/h2,10-13,15,17-20H,1,3-9H2/t11-,12-,13+,14+/m1/s1
InChIKeyOHSHZJLTRJOEAM-MQYQWHSLSA-N
XLogP-0.48
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal?
The IUPAC name of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal (CID 22851144) is (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal.
What is the SMILES notation for (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal?
The canonical SMILES for (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal is C=CCCCCCC[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal?
The InChIKey is OHSHZJLTRJOEAM-MQYQWHSLSA-N. The full InChI is InChI=1S/C14H26O6/c1-2-3-4-5-6-7-8-14(20,10-16)13(19)12(18)11(17)9-15/h2,10-13,15,17-20H,1,3-9H2/t11-,12-,13+,14+/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal?
(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal has a molecular weight of 290.36 g/mol, XLogP of -0.48, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]dec-9-enal is sourced from PubChem (CID 22851144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).