henicosa-6,15-dien-10-ol

C21H40O — CID 141379717

IUPAChenicosa-6,15-dien-10-ol
SMILESCCCCCC=CCCCCC(O)CCC=CCCCCC
InChIInChI=1S/C21H40O/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h11-13,15,21-22H,3-10,14,16-20H2,1-2H3
InChIKeyOWDNCKQNOOQQAI-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.96
Rot. Bonds16

About henicosa-6,15-dien-10-ol

henicosa-6,15-dien-10-ol (PubChem CID 141379717) has the molecular formula C21H40O and a molecular weight of 308.55 g/mol. Its IUPAC name is henicosa-6,15-dien-10-ol.

Molecular Properties

Compound Namehenicosa-6,15-dien-10-ol
PubChem CID141379717
Molecular FormulaC21H40O
Molecular Weight308.55 g/mol
Exact Mass308.31
IUPAC Namehenicosa-6,15-dien-10-ol
SMILESCCCCCC=CCCCCC(O)CCC=CCCCCC
InChIInChI=1S/C21H40O/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h11-13,15,21-22H,3-10,14,16-20H2,1-2H3
InChIKeyOWDNCKQNOOQQAI-UHFFFAOYSA-N
XLogP6.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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(Z)-dodec-6-ene-1,3-diol
CID 10488272
(E)-hentetracont-36-en-5-ol
CID 87492179
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
(E,10S)-henicos-7-en-10-ol
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(Z)-octadec-10-en-8-ol
CID 173051806
octadec-9-ene-1,2-diol
CID 139720566
(E)-nonadec-5-ene-1,2-diol
CID 142781627
(Z)-pentadec-8-en-6-ol
CID 10398809
(E)-hexadec-7-ene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of henicosa-6,15-dien-10-ol?
The IUPAC name of henicosa-6,15-dien-10-ol (CID 141379717) is henicosa-6,15-dien-10-ol.
What is the SMILES notation for henicosa-6,15-dien-10-ol?
The canonical SMILES for henicosa-6,15-dien-10-ol is CCCCCC=CCCCCC(O)CCC=CCCCCC.
What is the InChIKey of henicosa-6,15-dien-10-ol?
The InChIKey is OWDNCKQNOOQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O/c1-3-5-7-9-11-12-14-16-18-20-21(22)19-17-15-13-10-8-6-4-2/h11-13,15,21-22H,3-10,14,16-20H2,1-2H3.
What are the key properties of henicosa-6,15-dien-10-ol?
henicosa-6,15-dien-10-ol has a molecular weight of 308.55 g/mol, XLogP of 6.96, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-6,15-dien-10-ol is sourced from PubChem (CID 141379717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).