heptadeca-1,9-dien-11,13,15-triyn-8-ol

C17H20O — CID 162964829

IUPACheptadeca-1,9-dien-11,13,15-triyn-8-ol
SMILESC=CCCCCCC(O)C=CC#CC#CC#CC
InChIInChI=1S/C17H20O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4,14,16-18H,2,6,8,11,13,15H2,1H3
InChIKeyHNLFNCBZIGWOKP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.07
Rot. Bonds7

About heptadeca-1,9-dien-11,13,15-triyn-8-ol

heptadeca-1,9-dien-11,13,15-triyn-8-ol (PubChem CID 162964829) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is heptadeca-1,9-dien-11,13,15-triyn-8-ol.

Molecular Properties

Compound Nameheptadeca-1,9-dien-11,13,15-triyn-8-ol
PubChem CID162964829
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Nameheptadeca-1,9-dien-11,13,15-triyn-8-ol
SMILESC=CCCCCCC(O)C=CC#CC#CC#CC
InChIInChI=1S/C17H20O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4,14,16-18H,2,6,8,11,13,15H2,1H3
InChIKeyHNLFNCBZIGWOKP-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.07
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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(9S)-heptadec-1-en-9-ol
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26-methylheptacos-1-ene
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(3Z,5R,15Z,27Z)-triaconta-3,15,27-trien-1,29-diyn-5-ol
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(3E)-deca-3,9-diene-1,5-diol
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Frequently Asked Questions

What is the IUPAC name of heptadeca-1,9-dien-11,13,15-triyn-8-ol?
The IUPAC name of heptadeca-1,9-dien-11,13,15-triyn-8-ol (CID 162964829) is heptadeca-1,9-dien-11,13,15-triyn-8-ol.
What is the SMILES notation for heptadeca-1,9-dien-11,13,15-triyn-8-ol?
The canonical SMILES for heptadeca-1,9-dien-11,13,15-triyn-8-ol is C=CCCCCCC(O)C=CC#CC#CC#CC.
What is the InChIKey of heptadeca-1,9-dien-11,13,15-triyn-8-ol?
The InChIKey is HNLFNCBZIGWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h4,14,16-18H,2,6,8,11,13,15H2,1H3.
What are the key properties of heptadeca-1,9-dien-11,13,15-triyn-8-ol?
heptadeca-1,9-dien-11,13,15-triyn-8-ol has a molecular weight of 240.35 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,9-dien-11,13,15-triyn-8-ol is sourced from PubChem (CID 162964829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).