heptadeca-1,16-dien-4,6-diyne-3,9,10-triol

C17H24O3 — CID 5317634

IUPACheptadeca-1,16-dien-4,6-diyne-3,9,10-triol
SMILESC=CCCCCCC(O)C(O)CC#CC#CC(O)C=C
InChIInChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2
InChIKeyWNVDKDQMWFSCPI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.79
Rot. Bonds9

About heptadeca-1,16-dien-4,6-diyne-3,9,10-triol

heptadeca-1,16-dien-4,6-diyne-3,9,10-triol (PubChem CID 5317634) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is heptadeca-1,16-dien-4,6-diyne-3,9,10-triol.

Molecular Properties

Compound Nameheptadeca-1,16-dien-4,6-diyne-3,9,10-triol
PubChem CID5317634
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameheptadeca-1,16-dien-4,6-diyne-3,9,10-triol
SMILESC=CCCCCCC(O)C(O)CC#CC#CC(O)C=C
InChIInChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2
InChIKeyWNVDKDQMWFSCPI-UHFFFAOYSA-N
XLogP1.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze heptadeca-1,16-dien-4,6-diyne-3,9,10-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of heptadeca-1,16-dien-4,6-diyne-3,9,10-triol?
The IUPAC name of heptadeca-1,16-dien-4,6-diyne-3,9,10-triol (CID 5317634) is heptadeca-1,16-dien-4,6-diyne-3,9,10-triol.
What is the SMILES notation for heptadeca-1,16-dien-4,6-diyne-3,9,10-triol?
The canonical SMILES for heptadeca-1,16-dien-4,6-diyne-3,9,10-triol is C=CCCCCCC(O)C(O)CC#CC#CC(O)C=C.
What is the InChIKey of heptadeca-1,16-dien-4,6-diyne-3,9,10-triol?
The InChIKey is WNVDKDQMWFSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h3-4,15-20H,1-2,5-7,10,13-14H2.
What are the key properties of heptadeca-1,16-dien-4,6-diyne-3,9,10-triol?
heptadeca-1,16-dien-4,6-diyne-3,9,10-triol has a molecular weight of 276.38 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-1,16-dien-4,6-diyne-3,9,10-triol is sourced from PubChem (CID 5317634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).