(4R,5E,8R)-undeca-1,5-diene-4,8-diol

C11H20O2 — CID 101231224

IUPAC(4R,5E,8R)-undeca-1,5-diene-4,8-diol
SMILESC=CC[C@@H](O)/C=C/C[C@H](O)CCC
InChIInChI=1S/C11H20O2/c1-3-6-10(12)8-5-9-11(13)7-4-2/h3,5,8,10-13H,1,4,6-7,9H2,2H3/b8-5+/t10-,11-/m1/s1
InChIKeyACIZHZAASIWRJS-GBUKMUNPSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds7

About (4R,5E,8R)-undeca-1,5-diene-4,8-diol

(4R,5E,8R)-undeca-1,5-diene-4,8-diol (PubChem CID 101231224) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R,5E,8R)-undeca-1,5-diene-4,8-diol.

Molecular Properties

Compound Name(4R,5E,8R)-undeca-1,5-diene-4,8-diol
PubChem CID101231224
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4R,5E,8R)-undeca-1,5-diene-4,8-diol
SMILESC=CC[C@@H](O)/C=C/C[C@H](O)CCC
InChIInChI=1S/C11H20O2/c1-3-6-10(12)8-5-9-11(13)7-4-2/h3,5,8,10-13H,1,4,6-7,9H2,2H3/b8-5+/t10-,11-/m1/s1
InChIKeyACIZHZAASIWRJS-GBUKMUNPSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E,7R,11R)-heptadec-8-ene-7,11-diol
CID 101453637
(4R)-dodec-1-en-4-ol
CID 11074077
nona-1,7-dien-5-ol
CID 57009885
(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol
CID 135039824
hexadeca-2,4,6,8,10-pentaene-1,13-diol
CID 71373655
21,25-dihydroxyoctacosa-10,13,16,19,22-pentaenoic acid
CID 75580628
(4S,6S)-6-aminonon-1-en-4-ol
CID 16744633
nona-1,5-diene-3,7-diol
CID 57057192
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CID 10749148

Frequently Asked Questions

What is the IUPAC name of (4R,5E,8R)-undeca-1,5-diene-4,8-diol?
The IUPAC name of (4R,5E,8R)-undeca-1,5-diene-4,8-diol (CID 101231224) is (4R,5E,8R)-undeca-1,5-diene-4,8-diol.
What is the SMILES notation for (4R,5E,8R)-undeca-1,5-diene-4,8-diol?
The canonical SMILES for (4R,5E,8R)-undeca-1,5-diene-4,8-diol is C=CC[C@@H](O)/C=C/C[C@H](O)CCC.
What is the InChIKey of (4R,5E,8R)-undeca-1,5-diene-4,8-diol?
The InChIKey is ACIZHZAASIWRJS-GBUKMUNPSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-6-10(12)8-5-9-11(13)7-4-2/h3,5,8,10-13H,1,4,6-7,9H2,2H3/b8-5+/t10-,11-/m1/s1.
What are the key properties of (4R,5E,8R)-undeca-1,5-diene-4,8-diol?
(4R,5E,8R)-undeca-1,5-diene-4,8-diol has a molecular weight of 184.28 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,8R)-undeca-1,5-diene-4,8-diol is sourced from PubChem (CID 101231224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).