(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol

C17H22O2 — CID 97297315

IUPAC(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
SMILESCCC[C@@H](O)CC/C=C/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m1/s1
InChIKeyUPXPHJXYZGEBCW-OFRYGUAISA-N
MW258.36 g/mol
LogP2.60
Rot. Bonds7

About (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol

(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol (PubChem CID 97297315) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol.

Molecular Properties

Compound Name(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
PubChem CID97297315
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol
SMILESCCC[C@@H](O)CC/C=C/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m1/s1
InChIKeyUPXPHJXYZGEBCW-OFRYGUAISA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol with MolForge

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Related Compounds

tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
heptadeca-8,10-dien-4,6-diyne-1,14-diol
CID 74932187
(7E,9E,15Z)-17-hydroxyheptadeca-7,9,15-trien-11,13-diyn-4-one
CID 46881232
[(8E,10E,14S)-14-hydroxyheptadeca-8,10-dien-4,6-diynyl] acetate
CID 101424590
(E)-dec-2-en-4,6-diyn-1-ol
CID 5318913
(3S)-heptadeca-7,9,15-trien-11,13-diyn-3-ol
CID 71425389
(7E)-deca-7,9-dien-4-ol
CID 46176590
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
hexadeca-2,4,6,8,10-pentaene-1,13-diol
CID 71373655
(2E,8Z)-10-hydroxydeca-2,8-dien-4,6-diynal
CID 131247645
[(3S,4E,6E,12E)-3,14-dihydroxytetradeca-4,6,12-trien-8,10-diynyl] 3-methylbutanoate
CID 11544212
(Z)-oct-2-en-4-yn-1-ol;(E)-oct-2-en-4-yn-1-ol
CID 44889177

Frequently Asked Questions

What is the IUPAC name of (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol?
The IUPAC name of (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol (CID 97297315) is (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol.
What is the SMILES notation for (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol?
The canonical SMILES for (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol is CCC[C@@H](O)CC/C=C/C=C/C#CC#C/C=C\CO.
What is the InChIKey of (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol?
The InChIKey is UPXPHJXYZGEBCW-OFRYGUAISA-N. The full InChI is InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m1/s1.
What are the key properties of (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol?
(2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol has a molecular weight of 258.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol is sourced from PubChem (CID 97297315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).