(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol

C16H22O2 — CID 162657324

IUPAC(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol
SMILESC=CCCCCC(O)/C=C/C#CC#CC(O)CC
InChIInChI=1S/C16H22O2/c1-3-5-6-9-13-16(18)14-11-8-7-10-12-15(17)4-2/h3,11,14-18H,1,4-6,9,13H2,2H3/b14-11+
InChIKeyGTDJKEOLGPPLIP-SDNWHVSQSA-N
MW246.35 g/mol
LogP2.43
Rot. Bonds7

About (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol

(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol (PubChem CID 162657324) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol.

Molecular Properties

Compound Name(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol
PubChem CID162657324
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol
SMILESC=CCCCCC(O)/C=C/C#CC#CC(O)CC
InChIInChI=1S/C16H22O2/c1-3-5-6-9-13-16(18)14-11-8-7-10-12-15(17)4-2/h3,11,14-18H,1,4-6,9,13H2,2H3/b14-11+
InChIKeyGTDJKEOLGPPLIP-SDNWHVSQSA-N
XLogP2.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.43
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 (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol?
The IUPAC name of (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol (CID 162657324) is (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol.
What is the SMILES notation for (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol?
The canonical SMILES for (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol is C=CCCCCC(O)/C=C/C#CC#CC(O)CC.
What is the InChIKey of (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol?
The InChIKey is GTDJKEOLGPPLIP-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-5-6-9-13-16(18)14-11-8-7-10-12-15(17)4-2/h3,11,14-18H,1,4-6,9,13H2,2H3/b14-11+.
What are the key properties of (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol?
(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol has a molecular weight of 246.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol is sourced from PubChem (CID 162657324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).