(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol

C17H24O2 — CID 162866456

IUPAC(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol
SMILESC=CCCCCC[C@H]1O[C@H]1[C@H](O)C#CC#CCCC
InChIInChI=1S/C17H24O2/c1-3-5-7-9-11-13-15(18)17-16(19-17)14-12-10-8-6-4-2/h4,15-18H,2-3,5-6,8,10,12,14H2,1H3/t15-,16-,17+/m1/s1
InChIKeyNLFJDDYYSDVHFW-ZACQAIPSSA-N
MW260.38 g/mol
LogP3.06
Rot. Bonds8

About (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol

(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol (PubChem CID 162866456) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol
PubChem CID162866456
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol
SMILESC=CCCCCC[C@H]1O[C@H]1[C@H](O)C#CC#CCCC
InChIInChI=1S/C17H24O2/c1-3-5-7-9-11-13-15(18)17-16(19-17)14-12-10-8-6-4-2/h4,15-18H,2-3,5-6,8,10,12,14H2,1H3/t15-,16-,17+/m1/s1
InChIKeyNLFJDDYYSDVHFW-ZACQAIPSSA-N
XLogP3.06
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

Panaxydol
CID 126312
1-(3-Heptyl-2-oxiranyl)-7-octene-2,4-diyne-1,6-diol
CID 14827985
Ginsenoyne A
CID 5317632
Panaquinquecol 1
CID 5320688
9,10-Epoxy-heptadeca-1-en-4,6-diyn-3-ol
CID 5283280
Heptadeca-1-ene-11,13-diyne-8,9,10-triol
CID 10423696
(3R)-8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol
CID 5320396
(1R,6S)-1-(3-heptyloxiran-2-yl)oct-7-en-2,4-diyne-1,6-diol
CID 44575260
Ciryneol A
CID 15730329
(1R,6R)-1-[(2S,3R)-3-heptyloxiran-2-yl]oct-7-en-2,4-diyne-1,6-diol
CID 132497795
Oxiranemethanol, alpha-1,3-heptadiynyl-3-(6-heptenyl)-
CID 156010
(3R)-8-[(2R,3R)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol
CID 60151315

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol?
The IUPAC name of (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol (CID 162866456) is (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol.
What is the SMILES notation for (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol?
The canonical SMILES for (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol is C=CCCCCC[C@H]1O[C@H]1[C@H](O)C#CC#CCCC.
What is the InChIKey of (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol?
The InChIKey is NLFJDDYYSDVHFW-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-7-9-11-13-15(18)17-16(19-17)14-12-10-8-6-4-2/h4,15-18H,2-3,5-6,8,10,12,14H2,1H3/t15-,16-,17+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol?
(1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R)-3-hept-6-enyloxiran-2-yl]octa-2,4-diyn-1-ol is sourced from PubChem (CID 162866456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).