2-dec-9-ynoxyoxane

C15H26O2 — CID 10911608

IUPAC2-dec-9-ynoxyoxane
SMILESC#CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h1,15H,3-14H2
InChIKeyOAZCKVPRWOHUOE-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.89
Rot. Bonds9

About 2-dec-9-ynoxyoxane

2-dec-9-ynoxyoxane (PubChem CID 10911608) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-dec-9-ynoxyoxane.

Molecular Properties

Compound Name2-dec-9-ynoxyoxane
PubChem CID10911608
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-dec-9-ynoxyoxane
SMILESC#CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h1,15H,3-14H2
InChIKeyOAZCKVPRWOHUOE-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-9-ynoxyoxane?
The IUPAC name of 2-dec-9-ynoxyoxane (CID 10911608) is 2-dec-9-ynoxyoxane.
What is the SMILES notation for 2-dec-9-ynoxyoxane?
The canonical SMILES for 2-dec-9-ynoxyoxane is C#CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-dec-9-ynoxyoxane?
The InChIKey is OAZCKVPRWOHUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h1,15H,3-14H2.
What are the key properties of 2-dec-9-ynoxyoxane?
2-dec-9-ynoxyoxane has a molecular weight of 238.37 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-ynoxyoxane is sourced from PubChem (CID 10911608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).