(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol

C17H20O — CID 6442009

IUPAC(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol
SMILESC=CCCC/C=C\C=C/CC#CC#C[C@H](O)C=C
InChIInChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,8-11,17-18H,1-2,5-7,12H2/b9-8-,11-10-/t17-/m1/s1
InChIKeyADKVNLJOJPLERM-GMBPKHMRSA-N
MW240.35 g/mol
LogP3.40
Rot. Bonds7

About (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol

(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol (PubChem CID 6442009) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol.

Molecular Properties

Compound Name(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol
PubChem CID6442009
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol
SMILESC=CCCC/C=C\C=C/CC#CC#C[C@H](O)C=C
InChIInChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,8-11,17-18H,1-2,5-7,12H2/b9-8-,11-10-/t17-/m1/s1
InChIKeyADKVNLJOJPLERM-GMBPKHMRSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol with MolForge

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Related Compounds

(3S,9E,11E)-heptadeca-1,9,11-trien-4,6-diyn-3-ol
CID 162983421
(3S,8S,9E)-pentadeca-1,9,14-trien-4,6-diyne-3,8-diol
CID 162974276
(9E)-trideca-1,9-dien-4,6-diyn-3-ol
CID 10726292
10-hydroxydodeca-3,11-dien-6,8-diynoic acid
CID 71346453
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
(9Z,11S,16R)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol
CID 102004534
3-hydroxyheptadeca-1,9,16-trien-4,6-diyn-8-yl acetate
CID 162969617
(3R,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 102184429
(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol;(3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 87532668
heptadeca-1,8,16-trien-4,6-diyne-3,10-diol
CID 2986
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
CID 87603284
(8S)-heptadeca-9,16-dien-4,6-diyne-2,3,8-triol
CID 71405899

Frequently Asked Questions

What is the IUPAC name of (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol?
The IUPAC name of (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol (CID 6442009) is (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol.
What is the SMILES notation for (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol?
The canonical SMILES for (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol is C=CCCC/C=C\C=C/CC#CC#C[C@H](O)C=C.
What is the InChIKey of (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol?
The InChIKey is ADKVNLJOJPLERM-GMBPKHMRSA-N. The full InChI is InChI=1S/C17H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-4,8-11,17-18H,1-2,5-7,12H2/b9-8-,11-10-/t17-/m1/s1.
What are the key properties of (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol?
(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol has a molecular weight of 240.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol is sourced from PubChem (CID 6442009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).