2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane

C20H34O4 — CID 86101996

IUPAC2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
SMILESC(#CCCCCOC1CCCCO1)CCCCOC1CCCCO1
InChIInChI=1S/C20H34O4/c1(3-5-9-15-21-19-13-7-11-17-23-19)2-4-6-10-16-22-20-14-8-12-18-24-20/h19-20H,3-18H2
InChIKeyPFKHZHJOQHXSFV-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.42
Rot. Bonds10

About 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane

2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane (PubChem CID 86101996) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane.

Molecular Properties

Compound Name2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
PubChem CID86101996
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
SMILESC(#CCCCCOC1CCCCO1)CCCCOC1CCCCO1
InChIInChI=1S/C20H34O4/c1(3-5-9-15-21-19-13-7-11-17-23-19)2-4-6-10-16-22-20-14-8-12-18-24-20/h19-20H,3-18H2
InChIKeyPFKHZHJOQHXSFV-UHFFFAOYSA-N
XLogP4.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-(9-iodonon-8-ynoxy)oxane
CID 558907
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
1-bromopentane;2-dodeca-5,11-diynoxyoxane;octa-1,7-diyne
CID 161441664
6-(oxan-2-yloxy)hex-2-ynyl methanesulfonate
CID 121002580
(2S)-2-(3-chloropropoxy)oxane
CID 36690971

Frequently Asked Questions

What is the IUPAC name of 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane?
The IUPAC name of 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane (CID 86101996) is 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane.
What is the SMILES notation for 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane?
The canonical SMILES for 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane is C(#CCCCCOC1CCCCO1)CCCCOC1CCCCO1.
What is the InChIKey of 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane?
The InChIKey is PFKHZHJOQHXSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1(3-5-9-15-21-19-13-7-11-17-23-19)2-4-6-10-16-22-20-14-8-12-18-24-20/h19-20H,3-18H2.
What are the key properties of 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane?
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane has a molecular weight of 338.49 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane is sourced from PubChem (CID 86101996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).