8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol

C17H26O2 — CID 5317635

IUPAC8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol
SMILESCCCCCCCC1OC1CC#CC#CC(O)CC
InChIInChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3
InChIKeyWDZQEROINMBCOK-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.28
Rot. Bonds8

About 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol

8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol (PubChem CID 5317635) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol.

Molecular Properties

Compound Name8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol
PubChem CID5317635
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol
SMILESCCCCCCCC1OC1CC#CC#CC(O)CC
InChIInChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3
InChIKeyWDZQEROINMBCOK-UHFFFAOYSA-N
XLogP3.28
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol?
The IUPAC name of 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol (CID 5317635) is 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol.
What is the SMILES notation for 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol?
The canonical SMILES for 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol is CCCCCCCC1OC1CC#CC#CC(O)CC.
What is the InChIKey of 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol?
The InChIKey is WDZQEROINMBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3.
What are the key properties of 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol?
8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol has a molecular weight of 262.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol is sourced from PubChem (CID 5317635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).