2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol

C16H26O3 — CID 162866520

IUPAC2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol
SMILESCCCCCCCC=CC1OC1(O)C#CC(O)CC
InChIInChI=1S/C16H26O3/c1-3-5-6-7-8-9-10-11-15-16(18,19-15)13-12-14(17)4-2/h10-11,14-15,17-18H,3-9H2,1-2H3
InChIKeyDJHLCTGUOQALNU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.76
Rot. Bonds8

About 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol

2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol (PubChem CID 162866520) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol.

Molecular Properties

Compound Name2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol
PubChem CID162866520
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol
SMILESCCCCCCCC=CC1OC1(O)C#CC(O)CC
InChIInChI=1S/C16H26O3/c1-3-5-6-7-8-9-10-11-15-16(18,19-15)13-12-14(17)4-2/h10-11,14-15,17-18H,3-9H2,1-2H3
InChIKeyDJHLCTGUOQALNU-UHFFFAOYSA-N
XLogP2.76
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol?
The IUPAC name of 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol (CID 162866520) is 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol.
What is the SMILES notation for 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol?
The canonical SMILES for 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol is CCCCCCCC=CC1OC1(O)C#CC(O)CC.
What is the InChIKey of 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol?
The InChIKey is DJHLCTGUOQALNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-5-6-7-8-9-10-11-15-16(18,19-15)13-12-14(17)4-2/h10-11,14-15,17-18H,3-9H2,1-2H3.
What are the key properties of 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol?
2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypent-1-ynyl)-3-non-1-enyloxiran-2-ol is sourced from PubChem (CID 162866520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).