(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

C17H24O2 — CID 5317309

IUPAC(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=CC(O)C#CC#CC(O)/C=C\CCCCCCC
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-
InChIKeyQWCNQXNAFCBLLV-UVTDQMKNSA-N
MW260.38 g/mol
LogP2.82
Rot. Bonds8

About (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol (PubChem CID 5317309) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol.

Molecular Properties

Compound Name(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
PubChem CID5317309
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
SMILESC=CC(O)C#CC#CC(O)/C=C\CCCCCCC
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-
InChIKeyQWCNQXNAFCBLLV-UVTDQMKNSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol?
The IUPAC name of (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol (CID 5317309) is (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol.
What is the SMILES notation for (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol?
The canonical SMILES for (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol is C=CC(O)C#CC#CC(O)/C=C\CCCCCCC.
What is the InChIKey of (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol?
The InChIKey is QWCNQXNAFCBLLV-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-.
What are the key properties of (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol?
(9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-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 (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol is sourced from PubChem (CID 5317309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).