icosa-7,15-diene-6,9-diol

C20H38O2 — CID 57175111

IUPACicosa-7,15-diene-6,9-diol
SMILESCCCCC=CCCCCCC(O)C=CC(O)CCCCC
InChIInChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-14-16-20(22)18-17-19(21)15-13-6-4-2/h8-9,17-22H,3-7,10-16H2,1-2H3
InChIKeyYCZUUEIUYOHMDI-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.54
Rot. Bonds15

About icosa-7,15-diene-6,9-diol

icosa-7,15-diene-6,9-diol (PubChem CID 57175111) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is icosa-7,15-diene-6,9-diol.

Molecular Properties

Compound Nameicosa-7,15-diene-6,9-diol
PubChem CID57175111
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Nameicosa-7,15-diene-6,9-diol
SMILESCCCCC=CCCCCCC(O)C=CC(O)CCCCC
InChIInChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-14-16-20(22)18-17-19(21)15-13-6-4-2/h8-9,17-22H,3-7,10-16H2,1-2H3
InChIKeyYCZUUEIUYOHMDI-UHFFFAOYSA-N
XLogP5.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
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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octacos-10-ene-1,12-diol
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(E)-2-hydroxyoctadec-9-enal
CID 88545157
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
(Z)-octacos-19-ene-10,11-diol
CID 87651448
octacos-21-en-10-ol
CID 163011476
(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
icos-9-en-2-ol
CID 91416664
(E)-hentetracont-36-en-5-ol
CID 87492179
(Z)-henicos-12-en-2-ol
CID 141141779
undec-5-en-4-ol
CID 73071371

Frequently Asked Questions

What is the IUPAC name of icosa-7,15-diene-6,9-diol?
The IUPAC name of icosa-7,15-diene-6,9-diol (CID 57175111) is icosa-7,15-diene-6,9-diol.
What is the SMILES notation for icosa-7,15-diene-6,9-diol?
The canonical SMILES for icosa-7,15-diene-6,9-diol is CCCCC=CCCCCCC(O)C=CC(O)CCCCC.
What is the InChIKey of icosa-7,15-diene-6,9-diol?
The InChIKey is YCZUUEIUYOHMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-14-16-20(22)18-17-19(21)15-13-6-4-2/h8-9,17-22H,3-7,10-16H2,1-2H3.
What are the key properties of icosa-7,15-diene-6,9-diol?
icosa-7,15-diene-6,9-diol has a molecular weight of 310.52 g/mol, XLogP of 5.54, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-7,15-diene-6,9-diol is sourced from PubChem (CID 57175111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).