(16R)-icosa-5,14-diene-1,16-diol

C20H38O2 — CID 91200816

IUPAC(16R)-icosa-5,14-diene-1,16-diol
SMILESCCCC[C@@H](O)C=CCCCCCCCC=CCCCCO
InChIInChI=1S/C20H38O2/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h8,10,15,18,20-22H,2-7,9,11-14,16-17,19H2,1H3/t20-/m1/s1
InChIKeyLTDLJUKZWLOZFH-HXUWFJFHSA-N
MW310.52 g/mol
LogP5.54
Rot. Bonds16

About (16R)-icosa-5,14-diene-1,16-diol

(16R)-icosa-5,14-diene-1,16-diol (PubChem CID 91200816) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is (16R)-icosa-5,14-diene-1,16-diol.

Molecular Properties

Compound Name(16R)-icosa-5,14-diene-1,16-diol
PubChem CID91200816
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name(16R)-icosa-5,14-diene-1,16-diol
SMILESCCCC[C@@H](O)C=CCCCCCCCC=CCCCCO
InChIInChI=1S/C20H38O2/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h8,10,15,18,20-22H,2-7,9,11-14,16-17,19H2,1H3/t20-/m1/s1
InChIKeyLTDLJUKZWLOZFH-HXUWFJFHSA-N
XLogP5.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 59098331
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(17R)-17-hydroxyhenicosa-6,15-dien-2-one
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CID 73071371
disodium;hydride;octadec-9-en-1-ol
CID 173039862
(E)-henicos-12-en-1-ol
CID 19702453
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CID 86069169
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Frequently Asked Questions

What is the IUPAC name of (16R)-icosa-5,14-diene-1,16-diol?
The IUPAC name of (16R)-icosa-5,14-diene-1,16-diol (CID 91200816) is (16R)-icosa-5,14-diene-1,16-diol.
What is the SMILES notation for (16R)-icosa-5,14-diene-1,16-diol?
The canonical SMILES for (16R)-icosa-5,14-diene-1,16-diol is CCCC[C@@H](O)C=CCCCCCCCC=CCCCCO.
What is the InChIKey of (16R)-icosa-5,14-diene-1,16-diol?
The InChIKey is LTDLJUKZWLOZFH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H38O2/c1-2-3-17-20(22)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-21/h8,10,15,18,20-22H,2-7,9,11-14,16-17,19H2,1H3/t20-/m1/s1.
What are the key properties of (16R)-icosa-5,14-diene-1,16-diol?
(16R)-icosa-5,14-diene-1,16-diol has a molecular weight of 310.52 g/mol, XLogP of 5.54, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-icosa-5,14-diene-1,16-diol is sourced from PubChem (CID 91200816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).