2-(7,7,7-trimethoxyhept-2-ynoxy)oxane

C15H26O5 — CID 71335420

IUPAC2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
SMILESCOC(CCCC#CCOC1CCCCO1)(OC)OC
InChIInChI=1S/C15H26O5/c1-16-15(17-2,18-3)11-7-4-5-8-12-19-14-10-6-9-13-20-14/h14H,4,6-7,9-13H2,1-3H3
InChIKeyQDIWLUIDHDSYJL-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds8

About 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane

2-(7,7,7-trimethoxyhept-2-ynoxy)oxane (PubChem CID 71335420) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
PubChem CID71335420
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
SMILESCOC(CCCC#CCOC1CCCCO1)(OC)OC
InChIInChI=1S/C15H26O5/c1-16-15(17-2,18-3)11-7-4-5-8-12-19-14-10-6-9-13-20-14/h14H,4,6-7,9-13H2,1-3H3
InChIKeyQDIWLUIDHDSYJL-UHFFFAOYSA-N
XLogP2.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-dodeca-2,7-diynoxyoxane
CID 57283725
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-hex-2-ynoxyoxane
CID 11041365
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
CID 94037813
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
6-(oxan-2-yloxy)hex-2-ynyl methanesulfonate
CID 121002580

Frequently Asked Questions

What is the IUPAC name of 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane?
The IUPAC name of 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane (CID 71335420) is 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane.
What is the SMILES notation for 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane?
The canonical SMILES for 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane is COC(CCCC#CCOC1CCCCO1)(OC)OC.
What is the InChIKey of 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane?
The InChIKey is QDIWLUIDHDSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-16-15(17-2,18-3)11-7-4-5-8-12-19-14-10-6-9-13-20-14/h14H,4,6-7,9-13H2,1-3H3.
What are the key properties of 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane?
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane has a molecular weight of 286.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7,7-trimethoxyhept-2-ynoxy)oxane is sourced from PubChem (CID 71335420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).