heptadeca-8,10-dien-4,6-diyne-1,14-diol

C17H24O2 — CID 74932187

IUPACheptadeca-8,10-dien-4,6-diyne-1,14-diol
SMILESCCCC(O)CCC=CC=CC#CC#CCCCO
InChIInChI=1S/C17H24O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,17-19H,2,11-16H2,1H3
InChIKeySZYKBBPFQKNSPD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.82
Rot. Bonds8

About heptadeca-8,10-dien-4,6-diyne-1,14-diol

heptadeca-8,10-dien-4,6-diyne-1,14-diol (PubChem CID 74932187) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is heptadeca-8,10-dien-4,6-diyne-1,14-diol.

Molecular Properties

Compound Nameheptadeca-8,10-dien-4,6-diyne-1,14-diol
PubChem CID74932187
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameheptadeca-8,10-dien-4,6-diyne-1,14-diol
SMILESCCCC(O)CCC=CC=CC#CC#CCCCO
InChIInChI=1S/C17H24O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,17-19H,2,11-16H2,1H3
InChIKeySZYKBBPFQKNSPD-UHFFFAOYSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Cicutoxin
CID 25265910
Oenanthotoxin
CID 44138996
Bupleurotoxin
CID 44613554
Dihydrooenanthotoxin
CID 44138864
Virol B
CID 10753985
Virol A
CID 11108083
Oplopandiol
CID 6474833
8,12-Heptadecatriene-4,6-diyne-1,14-diol, (E,E,E)-(-)-
CID 5281132
Dendroarboreol A
CID 5469787
(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol
CID 131752714
Cicudiol
CID 44359698
17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one
CID 44359771

Frequently Asked Questions

What is the IUPAC name of heptadeca-8,10-dien-4,6-diyne-1,14-diol?
The IUPAC name of heptadeca-8,10-dien-4,6-diyne-1,14-diol (CID 74932187) is heptadeca-8,10-dien-4,6-diyne-1,14-diol.
What is the SMILES notation for heptadeca-8,10-dien-4,6-diyne-1,14-diol?
The canonical SMILES for heptadeca-8,10-dien-4,6-diyne-1,14-diol is CCCC(O)CCC=CC=CC#CC#CCCCO.
What is the InChIKey of heptadeca-8,10-dien-4,6-diyne-1,14-diol?
The InChIKey is SZYKBBPFQKNSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,17-19H,2,11-16H2,1H3.
What are the key properties of heptadeca-8,10-dien-4,6-diyne-1,14-diol?
heptadeca-8,10-dien-4,6-diyne-1,14-diol has a molecular weight of 260.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-8,10-dien-4,6-diyne-1,14-diol is sourced from PubChem (CID 74932187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).